1# SOME DESCRIPTIVE TITLE. 2# Copyright (C) YEAR THE PACKAGE'S COPYRIGHT HOLDER 3# This file is distributed under the same license as the PACKAGE package. 4# FIRST AUTHOR <EMAIL@ADDRESS>, YEAR. 5# 6#, fuzzy 7msgid "" 8msgstr "" 9"Project-Id-Version: PACKAGE VERSION\n" 10"Report-Msgid-Bugs-To: \n" 11"POT-Creation-Date: 2010-06-04 09:03+0200\n" 12"PO-Revision-Date: YEAR-MO-DA HO:MI+ZONE\n" 13"Last-Translator: FULL NAME <EMAIL@ADDRESS>\n" 14"Language-Team: LANGUAGE <LL@li.org>\n" 15"MIME-Version: 1.0\n" 16"Content-Type: text/plain; charset=CHARSET\n" 17"Content-Transfer-Encoding: 8bit\n" 18 19#: ../src/Common/Exit.c:111 20msgid "Save list of recent projects" 21msgstr "" 22 23#: ../src/Common/Exit.c:112 24msgid "Save list of recent host systems" 25msgstr "" 26 27#: ../src/Common/Exit.c:113 28msgid "Save the Molecular mechanics parameters" 29msgstr "" 30 31#: ../src/Common/Exit.c:114 32msgid "Save the PDB Templates parameters" 33msgstr "" 34 35#: ../src/Common/Exit.c:115 36msgid "Save the Personal Fragments" 37msgstr "" 38 39#: ../src/Common/Exit.c:116 40msgid "Save the atoms properties" 41msgstr "" 42 43#: ../src/Common/Exit.c:117 44msgid "Save the list of Molpro basis" 45msgstr "" 46 47#: ../src/Common/Exit.c:118 48msgid "Save the list of Molcas basis" 49msgstr "" 50 51#: ../src/Common/Exit.c:119 52msgid "Save the list of MPQC basis" 53msgstr "" 54 55#: ../src/Common/Exit.c:166 56msgid "Are you sure you want to exit?" 57msgstr "" 58 59#: ../src/Common/Exit.c:166 ../src/Files/FileChooser.c:454 60#: ../src/Files/FileChooser.c:477 ../src/Geometry/GeomXYZ.c:2974 61#: ../src/Utils/UtilsInterface.c:468 ../src/Utils/UtilsInterface.c:2283 62msgid "Question" 63msgstr "" 64 65#: ../src/Common/Help.c:32 66#, c-format 67msgid "" 68" * For add a command to the list:\n" 69" Type the new command and enter. \n" 70" This command becomes the default command.\n" 71"\n" 72" * For change the default command:\n" 73" Select a command from the list and type enter.\n" 74"\n" 75" * For remove a command from the list:\n" 76" Select the command to be removed and clicks on the\n" 77" \"Remove from list\" button.\n" 78"\n" 79"\n" 80" * NB:\n" 81" You can choose as commands the name of any\n" 82" script which accepts any number of parameters.\n" 83" However last parameter accepted by script must be the name\n" 84" of data file(included the extension \n" 85" .com for Gaussian, Molpro, Molcas and\n" 86" .inp for Gamess, FireFly and Q-Chem).\n" 87msgstr "" 88 89#: ../src/Common/Help.c:49 ../src/Common/Help.c:69 ../src/Common/Help.c:113 90msgid " Info " 91msgstr "" 92 93#: ../src/Common/Help.c:58 94#, c-format 95msgid "" 96" To be able to use this protocol:\n" 97"\n" 98" * the server must support rsh \n" 99" * on the remot host\n" 100" - edit .rhosts file and add the line: \n" 101" yourlocalmachine yourlocallogin\n" 102" - save file and \n" 103" - excecute the orders \n" 104" chmod a-wx .rhosts\n" 105" chmod u+rw .rhosts\n" 106msgstr "" 107 108#: ../src/Common/Help.c:79 109#, c-format 110msgid "" 111" To be able to use ssh protocol:\n" 112"\n" 113" * the server must support ssh protocol.\n" 114"\n" 115" * on the local host,the pscp and plink programs must installed\n" 116" the 2 programes are livred with Gabedit\n" 117" but you can download the programs from \n" 118" http://www.chiark.greenend.org.uk/~sgtatham/putty/download.html\n" 119msgstr "" 120 121#: ../src/Common/Help.c:97 122#, c-format 123msgid "" 124" To be able to use ssh protocol:\n" 125"\n" 126" * the server must support ssh protocol.\n" 127"\n" 128" * the local host must support ssh protocol.\n" 129"\n" 130" * on the local host, excecute the orders:\n" 131" ssh-keygen -t rsa (for create id_rsa ans id_rsa.pub files)\n" 132" ssh-keygen -t dsa (for create id_dsa ans id_dsa.pub files)\n" 133" for the 2 ordres : you must create the codes without " 134"passphrase.\n" 135"\n" 136" copy id_rsa.pub, id_dsa.pub files at HOME directory at REMOT " 137"host.\n" 138" (example scp id_*.pub remotlogin@remotehost:.)\n" 139"\n" 140" * on the remot host, excecute the orders:\n" 141" cat id_rsa.pub >> .ssh/authorized_keys\n" 142" cat id_dsa.pub >> .ssh/authorized_keys2\n" 143" chmod go-w .ssh/authorized_keys\n" 144" chmod go-w .ssh/authorized_keys2\n" 145msgstr "" 146 147#: ../src/Common/Help.c:122 148msgid "" 149" In this frame you have 6 buttons :\n" 150"\n" 151"New : For create a new variable\n" 152"Edit : For modify the selected variable\n" 153"Delete : For delete the selected variable\n" 154"<= All : For tansform all variables in constants\n" 155"<= One : For tansform the selected variable in constant\n" 156"Help : For view this window\n" 157msgstr "" 158 159#: ../src/Common/Help.c:140 160msgid "" 161" In this frame you have 8 buttons :\n" 162"\n" 163"New : For create a new center\n" 164"Edit : For modify a selected center\n" 165"Delete Last : For delete the last center\n" 166"Draw : For draw your geometry\n" 167"Save in file : For save your geometry in file\n" 168"All => : For tansform all contants in variables\n" 169"One => : For tansform the contants of selected center in variables\n" 170"Help : For view this window\n" 171msgstr "" 172 173#: ../src/Common/Help.c:160 174msgid "" 175"You can create an animated file using gab*.pov files. For this :\n" 176" You must initially create files gab*.bmp using gab*.pov files. For " 177"example :\n" 178" povray +Igab1.pov +Ogab1.bmp +W900 +H900\n" 179" povray +Igab2.pov +Ogab2.bmp +W900 +H900\n" 180" \t.........................................\n" 181" povray +Igabn.pov +Ogabn.bmp +W900 +H900\n" 182" Then you can create the animated file from gab*.bmp files using convert " 183"program :\n" 184" convert -delay 10 -loop 1000 gab*.bmp imageAnim.gif (for a gif " 185"animated file)\n" 186" convert -delay 10 -loop 1000 gab*.bmp imageAnim.mng (for a png " 187"animated file)\n" 188"\n" 189" You can also use the xPovAnim shell (from utils/povray of " 190"Gabedit directory) for create the gif animated file from gab*.pov files.\n" 191"\n" 192" povray is a free software. You can download this(for any system) " 193"from http://www.povray.org\n" 194" convert is a free software. You can download this(for any " 195"system) from http://www.imagemagick.org\n" 196" (in Linux convert is probably installed)\n" 197"\n" 198msgstr "" 199 200#: ../src/Common/Help.c:180 201msgid "" 202"You can create an animated file using gab*.pov files. For this :\n" 203" You must initially create files gab*.bmp using gab*.pov files.\n" 204" run povray\n" 205" in toolbar select '[320x240, AA 0.3]'\n" 206" int toolbar add '+W500 +H500' option\n" 207" click to Queue icon, you abtain a new window.\n" 208" click to add File and select all gab*.pov files created by " 209"Gabedit\n" 210" click to OK\n" 211" Then you can create the animated file from gab*.bmp files using convert " 212"program, for this :\n" 213" copy 'xAnim.bat' from Gabedit directory in directory of gab*pov " 214"files\n" 215" click to xAnim.bat\n" 216"\n" 217" convert is a free software. You can download this(for any " 218"system) from http://www.imagemagick.org\n" 219" povray is a free software. You can download this(for any system) " 220"from http://www.povray.org\n" 221"\n" 222msgstr "" 223 224#: ../src/Common/Help.c:207 225msgid "" 226" You can create an animated file using convert software :\n" 227" convert -delay 10 -loop 1000 gab*.bmp imageAnim.gif (for a gif animated " 228"file)\n" 229" or\n" 230" convert -delay 10 -loop 1000 gab*.bmp imageAnim.mng (for a png animated " 231"file)\n" 232"\n" 233"convert is a free software. You can download this(for any system) from " 234"http://www.imagemagick.org\n" 235"(in Linux convert is probably installed)\n" 236"\n" 237msgstr "" 238 239#: ../src/Common/Help.c:218 240msgid "" 241"You can create an animated file using convert software, for this :\n" 242" copy 'xAmin.bat' from Gabedit directory in directory of gab*.bmp files\n" 243" or\n" 244" click to xAnim.bat\n" 245"\n" 246"convert is a free software. You can download this(for any system) from " 247"http://www.imagemagick.org\n" 248"\n" 249msgstr "" 250 251#: ../src/Common/Help.c:234 252msgid "" 253" You can create an animated file using convert software :\n" 254" convert -delay 10 -loop 1000 gab*.ppm imageAnim.gif (for a gif animated " 255"file)\n" 256" or\n" 257" convert -delay 10 -loop 1000 gab*.ppm imageAnim.mng (for a png animated " 258"file)\n" 259"\n" 260"convert is a free software. You can download this(for any system) from " 261"http://www.imagemagick.org\n" 262"(in Linux convert is probably installed)\n" 263"\n" 264msgstr "" 265 266#: ../src/Common/Help.c:245 267msgid "" 268"You can create an animated file using convert software, for this :\n" 269" copy 'xAminPPM.bat' from Gabedit directory in directory of gab*.ppm " 270"files\n" 271" or\n" 272" click to xAnimPPM.bat\n" 273"\n" 274"convert is a free software. You can download this(for any system) from " 275"http://www.imagemagick.org\n" 276"\n" 277msgstr "" 278 279#: ../src/Common/Help.c:260 280#, c-format 281msgid "" 282" You can create an animated file using convert software :\n" 283" convert -delay 10 -loop 1000 gab*.%s imageAnim.gif (for a gif animated " 284"file)\n" 285" or\n" 286" convert -delay 10 -loop 1000 gab*.%s imageAnim.mng (for a png animated " 287"file)\n" 288"\n" 289"convert is a free software. You can download this(for any system) from " 290"http://www.imagemagick.org\n" 291"(in Linux convert is probably installed)\n" 292"\n" 293msgstr "" 294 295#: ../src/Common/Install.c:389 296msgid "" 297"Please wait while your personal\n" 298"GABEDIT directory is being created..." 299msgstr "" 300 301#: ../src/Common/Install.c:462 ../src/Common/Printer.c:401 302#: ../src/Files/FileChooser.c:483 ../src/Files/ListeFiles.c:868 303#: ../src/Files/ListeFiles.c:2446 ../src/FireFly/FireFly.c:198 304#: ../src/Gamess/Gamess.c:181 ../src/Gaussian/GInterfaceBasis.c:506 305#: ../src/Gaussian/GInterfaceBasis.c:668 ../src/Gaussian/GInterfaceLink.c:106 306#: ../src/Gaussian/GInterfaceRoute.c:396 ../src/Gaussian/GInterfaceRoute.c:561 307#: ../src/Gaussian/GInterfaceRoute.c:713 ../src/Gaussian/Gaussian.c:1200 308#: ../src/Geometry/BuildLinear.c:235 ../src/Geometry/BuildNanoTube.c:268 309#: ../src/Geometry/BuildRing.c:246 ../src/Geometry/DrawGeom.c:3050 310#: ../src/Geometry/DrawGeom.c:3142 ../src/Geometry/DrawGeom.c:3270 311#: ../src/Geometry/DrawGeom.c:3398 ../src/Geometry/DrawGeom.c:3526 312#: ../src/Geometry/DrawGeom.c:3660 ../src/Geometry/DrawGeom.c:3759 313#: ../src/Geometry/DrawGeom.c:3895 ../src/Geometry/DrawGeom.c:3975 314#: ../src/Geometry/GeomXYZ.c:2768 ../src/Geometry/GeomXYZ.c:2933 315#: ../src/Geometry/GeomXYZ.c:11313 ../src/Geometry/GeomXYZ.c:11649 316#: ../src/Geometry/GeomXYZ.c:11755 ../src/Geometry/GeomZmatrix.c:2419 317#: ../src/Geometry/GeomZmatrix.c:3641 ../src/Geometry/GeomZmatrix.c:3840 318#: ../src/Geometry/GeomZmatrix.c:6778 ../src/Geometry/GeomZmatrix.c:6885 319#: ../src/Geometry/PersonalFragments.c:268 320#: ../src/Geometry/PersonalFragments.c:407 321#: ../src/Geometry/PersonalFragments.c:676 322#: ../src/Geometry/PersonalFragments.c:869 323#: ../src/IsotopeDistribution/IsotopeDistributionCalculatorDlg.c:599 324#: ../src/MPQC/MPQC.c:192 ../src/MPQC/MPQCBasisLibrary.c:778 325#: ../src/MPQC/MPQCBasisLibrary.c:915 ../src/MPQC/MPQCBasisLibrary.c:1034 326#: ../src/Molcas/Molcas.c:188 ../src/Molcas/MolcasBasis.c:460 327#: ../src/MolecularMechanics/SetPDBTemplate.c:513 328#: ../src/Molpro/MInterfaceBasis.c:1077 ../src/Molpro/MInterfaceComm.c:131 329#: ../src/Molpro/MInterfaceComm.c:191 ../src/Molpro/MInterfaceComm.c:254 330#: ../src/Molpro/MInterfaceComm.c:316 ../src/Molpro/MInterfaceComm.c:374 331#: ../src/Molpro/MInterfaceComm.c:499 ../src/Molpro/MInterfaceComm.c:570 332#: ../src/Molpro/MInterfaceComm.c:644 ../src/Molpro/MInterfaceComm.c:758 333#: ../src/Molpro/Molpro.c:703 ../src/Molpro/Molpro.c:750 334#: ../src/Molpro/MolproBasisLibrary.c:824 ../src/Mopac/Mopac.c:175 335#: ../src/NetWork/Batch.c:357 ../src/NetWork/Batch.c:671 336#: ../src/NetWork/Process.c:484 ../src/NetWork/Process.c:722 337#: ../src/OpenGL/AnimationGeomConv.c:4818 ../src/OpenGL/Contours.c:889 338#: ../src/OpenGL/GridCube.c:319 ../src/OpenGL/GridCube.c:1510 339#: ../src/OpenGL/GridPlans.c:569 ../src/OpenGL/IntegralOrbitals.c:1242 340#: ../src/OpenGL/IntegralOrbitals.c:1824 ../src/OpenGL/IntegralOrbitals.c:2305 341#: ../src/OpenGL/LabelsGL.c:760 ../src/OpenGL/Orbitals.c:468 342#: ../src/OpenGL/Orbitals.c:1050 ../src/OpenGL/OrbitalsMolpro.c:1741 343#: ../src/OpenGL/PlanesMapped.c:175 ../src/OpenGL/PlanesMapped.c:281 344#: ../src/OpenGL/PreferencesOrb.c:160 ../src/OpenGL/PreferencesOrb.c:572 345#: ../src/OpenGL/StatusOrb.c:300 ../src/OpenGL/TriangleDraw.c:488 346#: ../src/OpenGL/UtilsOrb.c:1118 ../src/OpenGL/UtilsOrb.c:1333 347#: ../src/OpenGL/UtilsOrb.c:2151 ../src/OpenGL/UtilsOrb.c:2289 348#: ../src/OpenGL/UtilsOrb.c:2709 ../src/OpenGL/Vibration.c:646 349#: ../src/Orca/Orca.c:174 ../src/QChem/QChem.c:181 350#: ../src/Spectrum/UVSpectrum.c:705 ../src/Utils/AtomsProp.c:1328 351#: ../src/Utils/UtilsInterface.c:545 ../src/Utils/UtilsInterface.c:546 352msgid "Cancel" 353msgstr "" 354 355#: ../src/Common/Install.c:470 356msgid " Continue " 357msgstr "" 358 359#: ../src/Common/Install.c:496 360msgid "Gabedit User Installation" 361msgstr "" 362 363#: ../src/Common/Install.c:634 364msgid "Click \"Continue\" to enter the GABEDIT user installation." 365msgstr "" 366 367#: ../src/Common/Install.c:638 368msgid "" 369"Gabedit is a Graphical User Interface to Gamess-US, Gaussian, Molcas, " 370"Molpro, \n" 371"Mopac, MPQC ,Orca, FireFly and Q-Chem\n" 372"computational chemistry packages.\n" 373"It can display a variety of calculation results including support for most " 374"major molecular file formats.\n" 375"The advanced 'Molecule Builder' allows to rapidly sketch in molecules and " 376"examine them in 3D\n" 377"Graphics can be exported to various formats, including animations\n" 378"\n" 379"Gabedit can creates input file for the 8 computational chemistry packages" 380"(CCP) cited above.\n" 381"Gabedit can graphically display a variety of the CPP calculation results, " 382"including the following\n" 383" - Molecular orbitals\n" 384" - Surfaces from the electron density, electrostatic potential, NMR " 385"shielding density.....\n" 386" - Contours (colorcoded), Planes colorcoded, Dipole. XYZ axes and the " 387"principal axes of the molecule.\n" 388" - Animation of the normal modes corresponding to vibrational frequencies.\n" 389" - Animation of the rotation of geometry, surfaces, contours, planes " 390"colorcoded.\n" 391"Gabedit can display UV-Vis, IR and Raman computed spectra.\n" 392"Gabedit can generate a povray file for geometry (including hydrogen's " 393"bond),\n" 394"surfaces (including colorcoded surfaces), contours, planes colorcoded.\n" 395"Gabedit can save picture in BMP, JPEG, PNG, PPM and PS format.\n" 396"Gabedit can generate automatically a series of pictures for animation" 397"(vibration, geometry convergence, ....).\n" 398msgstr "" 399 400#: ../src/Common/Install.c:665 401msgid "" 402"Copyright (c) 2002-2010 Abdul-Rahman Allouche.\n" 403"All rights reserved.\n" 404"\n" 405"Gabedit is free.\n" 406msgstr "" 407 408#: ../src/Common/Install.c:695 409msgid "Personal GABEDIT Directory" 410msgstr "" 411 412#: ../src/Common/Install.c:697 413msgid "Click \"Continue\" to create your personal GABEDIT directory." 414msgstr "" 415 416#: ../src/Common/Install.c:733 417#, c-format 418msgid "" 419"For a proper GABEDIT installation, a subdirectory named\n" 420"%s needs to be created." 421msgstr "" 422 423#: ../src/Common/Install.c:740 424msgid "" 425"This subdirectory will contain a number of important files.\n" 426"Click on one of the files or subdirectories in the tree\n" 427"to get more information about the selected item." 428msgstr "" 429 430#: ../src/Common/Install.c:807 431msgid "Creation of Directories" 432msgstr "" 433 434#: ../src/Common/Install.c:812 435msgid "GABEDIT Atoms Properties" 436msgstr "" 437 438#: ../src/Common/Install.c:813 ../src/Common/Install.c:824 439#: ../src/Common/Install.c:842 ../src/Common/Install.c:859 440msgid "Click \"Continue\" to accept the settings above." 441msgstr "" 442 443#: ../src/Common/Install.c:815 444msgid "Setting for atoms properties." 445msgstr "" 446 447#: ../src/Common/Install.c:823 448msgid "GABEDIT Commands/Network" 449msgstr "" 450 451#: ../src/Common/Install.c:828 452msgid "" 453"To execute Gamess-US, Gaussian, Molcas, Molpro, \n" 454"Mopac, MPQC, Orca, FireFly and Q-Chem program, GABEDIT needs to know " 455"commands system.\n" 456"GABEDIT needs to know network protocols." 457msgstr "" 458 459#: ../src/Common/Install.c:841 460msgid "GABEDIT Fonts/Colors setting" 461msgstr "" 462 463#: ../src/Common/Install.c:846 464msgid "" 465"Setting for Text Font and Text Colors, GABEDIT needs to know the defaults " 466"Fonts/Colors for Data and Result editors." 467msgstr "" 468 469#: ../src/Common/Install.c:858 470msgid "GABEDIT Color Surfaces setting" 471msgstr "" 472 473#: ../src/Common/Install.c:862 474msgid "" 475"Setting for color surfaces, GABEDIT needs to know the defaults Color for " 476"surfaces(density,Orbitals,....)." 477msgstr "" 478 479#: ../src/Common/Install.c:874 480msgid "GABEDIT creation of molpro basis list file" 481msgstr "" 482 483#: ../src/Common/Install.c:875 ../src/Common/Install.c:888 484#: ../src/Common/Install.c:900 485msgid "Click \"Continue\" for next page." 486msgstr "" 487 488#: ../src/Common/Install.c:878 489msgid "" 490"If the libmol program (delivered with molpro) is not installed on your local " 491"host,\n" 492"GABEDIT uses this file for get the list of basis(only the names of basis)" 493"supported by molpro.\n" 494"Please note that this file contains the list of basis supported by " 495"molpro2002.6." 496msgstr "" 497 498#: ../src/Common/Install.c:887 499msgid "GABEDIT creation of molcas basis list file" 500msgstr "" 501 502#: ../src/Common/Install.c:891 503msgid "" 504"GABEDIT uses this file for get the list of basis(only the names of basis)" 505"supported by molcas.\n" 506"Please note that this file contains the list of basis supported by Molcas7." 507msgstr "" 508 509#: ../src/Common/Install.c:899 510msgid "GABEDIT creation of mpqc basis list file" 511msgstr "" 512 513#: ../src/Common/Install.c:903 514msgid "" 515"GABEDIT uses this file for get the list of basis(only the names of basis)" 516"supported by MPQC.\n" 517"Please note that this file contains the list of basis supported by MPQC2.2.2." 518msgstr "" 519 520#: ../src/Common/Install.c:912 521msgid "GABEDIT creation of Molecular Mechanics file" 522msgstr "" 523 524#: ../src/Common/Install.c:913 525msgid "Click \"Continue\" to start GABEDIT." 526msgstr "" 527 528#: ../src/Common/Install.c:915 529msgid "Gabedit use this file for load molecular mechanics parameters " 530msgstr "" 531 532#: ../src/Common/Install.c:919 533msgid "Aborting Installation..." 534msgstr "" 535 536#: ../src/Common/Install.c:1009 ../src/Common/Install.c:1064 537msgid "" 538"Did you notice any error messages in the lines above?\n" 539"If not, installation was successful!, Otherwise, quit and investigate the " 540"possible reason..." 541msgstr "" 542 543#: ../src/Common/Install.c:1019 ../src/Common/Install.c:1074 544msgid "Click \"Continue\" to complete GABEDIT installation." 545msgstr "" 546 547#: ../src/Common/Install.c:1028 ../src/Common/Install.c:1082 548msgid "Installation failed. Contact system administrator." 549msgstr "" 550 551#: ../src/Common/MenuToolBar.c:662 ../src/MPQC/MPQCBasisLibrary.c:279 552#: ../src/MolecularMechanics/SetPDBTemplate.c:833 553#: ../src/Molpro/MolproBasisLibrary.c:325 554#: ../src/OpenGL/AnimationGeomConv.c:5088 ../src/OpenGL/AnimationMD.c:2926 555#: ../src/OpenGL/MenuToolBarGL.c:1965 ../src/OpenGL/Vibration.c:4736 556#, c-format 557msgid "building menus failed: %s" 558msgstr "" 559 560#: ../src/Common/Preferences.c:1069 561msgid "Font selection" 562msgstr "" 563 564#: ../src/Common/Preferences.c:1074 565msgid " Font selction " 566msgstr "" 567 568#: ../src/Common/Preferences.c:1161 569msgid "Set Atom Color" 570msgstr "" 571 572#: ../src/Common/Preferences.c:1171 ../src/Utils/UtilsInterface.c:2793 573msgid " Set Color " 574msgstr "" 575 576#: ../src/Common/Preferences.c:1248 577msgid " Default font " 578msgstr "" 579 580#: ../src/Common/Preferences.c:1266 ../src/Common/Preferences.c:1334 581msgid " Foreground color " 582msgstr "" 583 584#: ../src/Common/Preferences.c:1316 585msgid " Background color " 586msgstr "" 587 588#: ../src/Common/Preferences.c:1364 ../src/Common/Preferences.c:1395 589msgid " Data " 590msgstr "" 591 592#: ../src/Common/Preferences.c:1368 ../src/Common/Preferences.c:1399 593msgid " Result " 594msgstr "" 595 596#: ../src/Common/Preferences.c:1536 597msgid "Batch Commands" 598msgstr "" 599 600#: ../src/Common/Preferences.c:1548 601msgid " Batch Type " 602msgstr "" 603 604#: ../src/Common/Preferences.c:1558 605msgid " Command for list of all Job " 606msgstr "" 607 608#: ../src/Common/Preferences.c:1580 609msgid " Command for kill a Job " 610msgstr "" 611 612#: ../src/Common/Preferences.c:1591 613msgid " Title for Job id " 614msgstr "" 615 616#: ../src/Common/Preferences.c:1634 617msgid "File chooser" 618msgstr "" 619 620#: ../src/Common/Preferences.c:1667 621msgid "Select Gamess folder" 622msgstr "" 623 624#: ../src/Common/Preferences.c:1701 625msgid "Select Orca folder" 626msgstr "" 627 628#: ../src/Common/Preferences.c:1735 629msgid "Select FireFly folder" 630msgstr "" 631 632#: ../src/Common/Preferences.c:1769 633msgid "Select Mopac folder" 634msgstr "" 635 636#: ../src/Common/Preferences.c:1803 637msgid "Select PovRay folder" 638msgstr "" 639 640#: ../src/Common/Preferences.c:1837 641msgid "Select Gaussian folder" 642msgstr "" 643 644#: ../src/Common/Preferences.c:1858 645msgid "" 646"Commands for execute Gaussian, Molcas, Molpro, MPQC, FireFly, Q-Chem or Babel" 647msgstr "" 648 649#: ../src/Common/Preferences.c:1870 650msgid "Command for execute Gamess : " 651msgstr "" 652 653#: ../src/Common/Preferences.c:1882 ../src/Common/Preferences.c:1912 654#: ../src/Common/Preferences.c:1939 ../src/Common/Preferences.c:1967 655#: ../src/Common/Preferences.c:1995 ../src/Common/Preferences.c:2020 656#: ../src/Common/Preferences.c:2044 ../src/Common/Preferences.c:2068 657#: ../src/Common/Preferences.c:2092 ../src/Common/Preferences.c:2116 658msgid " Remove from list " 659msgstr "" 660 661#: ../src/Common/Preferences.c:1889 ../src/Common/Preferences.c:1918 662#: ../src/Common/Preferences.c:1946 ../src/Common/Preferences.c:1974 663#: ../src/Common/Preferences.c:2002 ../src/Common/Preferences.c:2027 664#: ../src/Common/Preferences.c:2051 ../src/Common/Preferences.c:2075 665#: ../src/Common/Preferences.c:2099 ../src/Common/Preferences.c:2123 666#: ../src/Common/Preferences.c:2617 667msgid " Help " 668msgstr "" 669 670#: ../src/Common/Preferences.c:1900 671msgid "Command for execute Gaussian : " 672msgstr "" 673 674#: ../src/Common/Preferences.c:1928 675msgid "Command for execute Molpro : " 676msgstr "" 677 678#: ../src/Common/Preferences.c:1956 679msgid "Command for execute Molcas : " 680msgstr "" 681 682#: ../src/Common/Preferences.c:1984 683msgid "Command for execute MPQC : " 684msgstr "" 685 686#: ../src/Common/Preferences.c:2011 687msgid "Command for execute Orca : " 688msgstr "" 689 690#: ../src/Common/Preferences.c:2035 691msgid "Command for execute FireFly : " 692msgstr "" 693 694#: ../src/Common/Preferences.c:2059 695msgid "Command for execute Q-Chem : " 696msgstr "" 697 698#: ../src/Common/Preferences.c:2083 699msgid "Command for execute Mopac : " 700msgstr "" 701 702#: ../src/Common/Preferences.c:2107 703msgid "Command for execute Povray : " 704msgstr "" 705 706#: ../src/Common/Preferences.c:2140 707msgid "Command for Open Babel : " 708msgstr "" 709 710#: ../src/Common/Preferences.c:2190 711msgid "Gamess directory : " 712msgstr "" 713 714#: ../src/Common/Preferences.c:2234 715msgid "Orca directory : " 716msgstr "" 717 718#: ../src/Common/Preferences.c:2278 719msgid "FireFly directory : " 720msgstr "" 721 722#: ../src/Common/Preferences.c:2322 723msgid "Mopac directory : " 724msgstr "" 725 726#: ../src/Common/Preferences.c:2364 727msgid "PovRay directory : " 728msgstr "" 729 730#: ../src/Common/Preferences.c:2406 731msgid "Gaussian directory : " 732msgstr "" 733 734#: ../src/Common/Preferences.c:2435 735msgid " Surface colors " 736msgstr "" 737 738#: ../src/Common/Preferences.c:2436 739msgid " Surface colors " 740msgstr "" 741 742#: ../src/Common/Preferences.c:2462 ../src/Common/Preferences.c:2463 743msgid " Fonts/Colors " 744msgstr "" 745 746#: ../src/Common/Preferences.c:2480 ../src/Common/Preferences.c:2481 747msgid " Properties of atoms " 748msgstr "" 749 750#: ../src/Common/Preferences.c:2515 751msgid "Select pscp & plink folder" 752msgstr "" 753 754#: ../src/Common/Preferences.c:2549 755msgid "pscp & plink directory : " 756msgstr "" 757 758#: ../src/Common/Preferences.c:2581 759msgid "Default NetWork protocol" 760msgstr "" 761 762#: ../src/Common/Preferences.c:2637 ../src/Common/Preferences.c:2638 763msgid " Others " 764msgstr "" 765 766#: ../src/Common/Preferences.c:2667 ../src/Common/Preferences.c:2668 767msgid " Commands " 768msgstr "" 769 770#: ../src/Common/Preferences.c:2690 ../src/Common/Preferences.c:2691 771msgid " Batch " 772msgstr "" 773 774#: ../src/Common/Preferences.c:2713 ../src/Common/Preferences.c:2714 775msgid " NetWork " 776msgstr "" 777 778#: ../src/Common/Preferences.c:2753 779msgid "Preferences " 780msgstr "" 781 782#: ../src/Common/Preferences.c:2756 783msgid "Preferences" 784msgstr "" 785 786#: ../src/Common/Preferences.c:2782 ../src/Utils/UtilsInterface.c:554 787#: ../src/Utils/UtilsInterface.c:555 788msgid "Save&Apply&Close" 789msgstr "" 790 791#: ../src/Common/Preferences.c:2791 ../src/Utils/UtilsInterface.c:560 792#: ../src/Utils/UtilsInterface.c:561 793msgid "Apply&Close" 794msgstr "" 795 796#: ../src/Common/Preferences.c:2799 ../src/OpenGL/LabelsGL.c:754 797#: ../src/OpenGL/PreferencesOrb.c:523 ../src/OpenGL/PrincipalAxisGL.c:579 798#: ../src/OpenGL/TriangleDraw.c:482 ../src/OpenGL/UtilsOrb.c:2283 799#: ../src/OpenGL/UtilsOrb.c:2580 ../src/Spectrum/NMRSpectrum.c:1650 800#: ../src/Utils/UtilsInterface.c:569 ../src/Utils/UtilsInterface.c:570 801#: ../src/Utils/UtilsInterface.c:2899 802msgid "Apply" 803msgstr "" 804 805#: ../src/Common/Printer.c:55 ../src/Common/Printer.c:57 806#: ../src/Common/Printer.c:59 ../src/Common/Printer.c:61 807#: ../src/Common/Printer.c:107 808msgid "landscape" 809msgstr "" 810 811#: ../src/Common/Printer.c:102 ../src/Common/Printer.c:125 812#: ../src/Molcas/MolcasVariables.c:57 ../src/Molcas/MolcasVariables.c:71 813#: ../src/Molcas/MolcasVariables.c:85 ../src/Molcas/MolcasVariables.c:109 814#: ../src/Molcas/MolcasVariables.c:110 ../src/Molcas/MolcasVariables.c:111 815#: ../src/Molcas/MolcasVariables.c:113 ../src/Molcas/MolcasVariables.c:152 816#: ../src/Molcas/MolcasVariables.c:161 ../src/Molcas/MolcasVariables.c:166 817#: ../src/Molcas/MolcasVariables.c:175 ../src/Molcas/MolcasVariables.c:179 818#: ../src/Molcas/MolcasVariables.c:187 ../src/Molcas/MolcasVariables.c:195 819#: ../src/Molcas/MolcasVariables.c:248 ../src/Molcas/MolcasVariables.c:251 820#: ../src/Molcas/MolcasVariables.c:254 ../src/Molcas/MolcasVariables.c:260 821#: ../src/Molcas/MolcasVariables.c:326 ../src/Molcas/MolcasVariables.c:353 822#: ../src/Molcas/MolcasVariables.c:373 ../src/Molcas/MolcasVariables.c:405 823#: ../src/Molcas/MolcasVariables.c:415 ../src/Molcas/MolcasVariables.c:416 824#: ../src/Molcas/MolcasVariables.c:417 ../src/Molcas/MolcasVariables.c:419 825#, c-format 826msgid "Default" 827msgstr "" 828 829#: ../src/Common/Printer.c:135 ../src/Common/Printer.c:551 830#: ../src/Geometry/BuildPolySaccharide.c:592 ../src/Geometry/DrawGeom.c:7205 831#: ../src/Geometry/DrawGeom.c:7247 ../src/Geometry/DrawGeom.c:7375 832#: ../src/Geometry/FragmentsSelector.c:105 ../src/Geometry/GeomXYZ.c:2960 833#: ../src/Geometry/Povray.c:1103 ../src/Geometry/Povray.c:1111 834#: ../src/MPQC/MPQCMole.c:483 835#: ../src/MolecularMechanics/MolecularMechanicsDlg.c:1514 836#: ../src/NetWork/Process.c:597 ../src/OpenGL/AnimationContours.c:507 837#: ../src/OpenGL/AnimationGeomConv.c:4328 838#: ../src/OpenGL/AnimationGeomConv.c:4908 839#: ../src/OpenGL/AnimationIsoSurface.c:304 ../src/OpenGL/AnimationMD.c:2396 840#: ../src/OpenGL/AnimationMD.c:2739 ../src/OpenGL/AnimationMD.c:2767 841#: ../src/OpenGL/AnimationPlanesMapped.c:351 842#: ../src/OpenGL/AnimationRotation.c:201 ../src/OpenGL/GeomOrbXYZ.c:1046 843#: ../src/OpenGL/Vibration.c:4094 ../src/SemiEmpirical/SemiEmpiricalDlg.c:3633 844#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4671 845#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4672 846#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4691 847#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4692 848#: ../src/Utils/UtilsInterface.c:477 849msgid "Info" 850msgstr "" 851 852#: ../src/Common/Printer.c:152 853msgid "File to print" 854msgstr "" 855 856#: ../src/Common/Printer.c:156 857msgid "File Name :" 858msgstr "" 859 860#: ../src/Common/Printer.c:181 861msgid " Orientation " 862msgstr "" 863 864#: ../src/Common/Printer.c:195 865msgid " chars by line " 866msgstr "" 867 868#: ../src/Common/Printer.c:207 869msgid " pages by paper " 870msgstr "" 871 872#: ../src/Common/Printer.c:234 873msgid "Print in file" 874msgstr "" 875 876#: ../src/Common/Printer.c:238 ../src/Gaussian/GInterfaceBasis.c:87 877#: ../src/Gaussian/GInterfaceBasis.c:162 878#: ../src/Gaussian/GInterfaceMethodeBase.c:103 879#: ../src/Gaussian/GInterfaceMethodeBase.c:444 880#: ../src/Gaussian/GInterfaceMethodeBase.c:449 881#: ../src/Gaussian/GInterfaceMethodeBase.c:454 882#: ../src/Gaussian/GInterfaceRoute.c:606 ../src/Gaussian/GInterfaceRoute.c:613 883#: ../src/Gaussian/GInterfaceRoute.c:688 ../src/Gaussian/GInterfaceRoute.c:692 884#: ../src/Gaussian/GInterfaceRoute.c:935 ../src/Gaussian/Gaussian.c:417 885#: ../src/Geometry/GeomXYZ.c:2121 ../src/Geometry/GeomXYZ.c:2177 886#: ../src/Geometry/GeomXYZ.c:2996 ../src/Utils/UtilsInterface.c:548 887#: ../src/Utils/UtilsInterface.c:549 ../src/Utils/UtilsInterface.c:785 888#: ../src/Utils/UtilsInterface.c:2294 889msgid "Yes" 890msgstr "" 891 892#: ../src/Common/Printer.c:247 893msgid " File Name :" 894msgstr "" 895 896#: ../src/Common/Printer.c:292 ../src/Common/Printer.c:423 897msgid "a2ps options" 898msgstr "" 899 900#: ../src/Common/Printer.c:344 901msgid " Printer Name " 902msgstr "" 903 904#: ../src/Common/Printer.c:354 905msgid " Number of copies " 906msgstr "" 907 908#: ../src/Common/Printer.c:380 909msgid "Gabedit : Print" 910msgstr "" 911 912#: ../src/Common/Printer.c:383 913msgid " Print " 914msgstr "" 915 916#: ../src/Common/Printer.c:407 917msgid "Display" 918msgstr "" 919 920#: ../src/Common/Printer.c:414 ../src/Utils/UtilsInterface.c:578 921#: ../src/Utils/UtilsInterface.c:579 922msgid "Print" 923msgstr "" 924 925#: ../src/Common/Printer.c:457 ../src/Common/Printer.c:463 926msgid "Error, No text to print\n" 927msgstr "" 928 929#: ../src/Common/Printer.c:457 ../src/Common/Printer.c:463 930#: ../src/Common/Run.c:373 ../src/Common/Run.c:851 ../src/Common/Run.c:1027 931#: ../src/Common/Run.c:1099 ../src/Common/Run.c:1197 ../src/Common/Run.c:1271 932#: ../src/Common/Run.c:1439 ../src/Common/Run.c:1529 ../src/Common/Run.c:1719 933#: ../src/Common/Run.c:1782 ../src/Common/Run.c:1838 934#: ../src/Files/ListeFiles.c:1312 ../src/FireFly/FireFly.c:181 935#: ../src/Gamess/Gamess.c:164 ../src/Gaussian/Gaussian.c:1167 936#: ../src/Geometry/BuildPolyNucleicAcid.c:953 937#: ../src/Geometry/BuildPolyNucleicAcid.c:964 938#: ../src/Geometry/BuildPolyNucleicAcid.c:1029 939#: ../src/Geometry/BuildPolyNucleicAcid.c:1040 940#: ../src/Geometry/BuildPolyNucleicAcid.c:1105 941#: ../src/Geometry/BuildPolyNucleicAcid.c:1115 942#: ../src/Geometry/BuildPolyNucleicAcid.c:1415 943#: ../src/Geometry/BuildPolyNucleicAcid.c:1476 944#: ../src/Geometry/BuildPolyNucleicAcid.c:1485 945#: ../src/Geometry/BuildPolyNucleicAcid.c:1526 946#: ../src/Geometry/BuildPolyNucleicAcid.c:1538 947#: ../src/Geometry/BuildPolyNucleicAcid.c:1550 948#: ../src/Geometry/BuildPolyNucleicAcid.c:1561 ../src/Geometry/DrawGeom.c:2092 949#: ../src/Geometry/DrawGeom.c:2135 ../src/Geometry/DrawGeom.c:5121 950#: ../src/Geometry/DrawGeom.c:5132 ../src/Geometry/EnergiesCurves.c:577 951#: ../src/Geometry/EnergiesCurves.c:580 ../src/Geometry/EnergiesCurves.c:583 952#: ../src/Geometry/EnergiesCurves.c:586 ../src/Geometry/EnergiesCurves.c:589 953#: ../src/Geometry/EnergiesCurves.c:592 ../src/Geometry/EnergiesCurves.c:595 954#: ../src/Geometry/EnergiesCurves.c:598 ../src/Geometry/EnergiesCurves.c:731 955#: ../src/Geometry/EnergiesCurves.c:734 ../src/Geometry/EnergiesCurves.c:737 956#: ../src/Geometry/EnergiesCurves.c:740 ../src/Geometry/EnergiesCurves.c:743 957#: ../src/Geometry/EnergiesCurves.c:746 ../src/Geometry/EnergiesCurves.c:749 958#: ../src/Geometry/EnergiesCurves.c:752 ../src/Geometry/EnergiesCurves.c:755 959#: ../src/Geometry/ExportGeom.c:48 ../src/Geometry/GeomXYZ.c:935 960#: ../src/Geometry/GeomXYZ.c:944 ../src/Geometry/GeomXYZ.c:1024 961#: ../src/Geometry/GeomXYZ.c:1114 ../src/Geometry/GeomXYZ.c:1152 962#: ../src/Geometry/GeomXYZ.c:1185 ../src/Geometry/GeomXYZ.c:1532 963#: ../src/Geometry/GeomXYZ.c:1583 ../src/Geometry/GeomXYZ.c:1637 964#: ../src/Geometry/GeomXYZ.c:1679 ../src/Geometry/GeomXYZ.c:1760 965#: ../src/Geometry/GeomXYZ.c:2085 ../src/Geometry/GeomXYZ.c:2141 966#: ../src/Geometry/GeomXYZ.c:2193 ../src/Geometry/GeomXYZ.c:2246 967#: ../src/Geometry/GeomXYZ.c:2409 ../src/Geometry/GeomXYZ.c:2417 968#: ../src/Geometry/GeomXYZ.c:2503 ../src/Geometry/GeomXYZ.c:2511 969#: ../src/Geometry/GeomXYZ.c:2578 ../src/Geometry/GeomXYZ.c:2811 970#: ../src/Geometry/GeomXYZ.c:3157 ../src/Geometry/GeomXYZ.c:3167 971#: ../src/Geometry/GeomXYZ.c:3288 ../src/Geometry/GeomXYZ.c:3340 972#: ../src/Geometry/GeomXYZ.c:3347 ../src/Geometry/GeomXYZ.c:3415 973#: ../src/Geometry/GeomXYZ.c:3553 ../src/Geometry/GeomXYZ.c:3641 974#: ../src/Geometry/GeomXYZ.c:3745 ../src/Geometry/GeomXYZ.c:4016 975#: ../src/Geometry/GeomXYZ.c:4126 ../src/Geometry/GeomXYZ.c:4250 976#: ../src/Geometry/GeomXYZ.c:4348 ../src/Geometry/GeomXYZ.c:4613 977#: ../src/Geometry/GeomXYZ.c:4750 ../src/Geometry/GeomXYZ.c:4978 978#: ../src/Geometry/GeomXYZ.c:5023 ../src/Geometry/GeomXYZ.c:5041 979#: ../src/Geometry/GeomXYZ.c:5146 ../src/Geometry/GeomXYZ.c:5161 980#: ../src/Geometry/GeomXYZ.c:5189 ../src/Geometry/GeomXYZ.c:5211 981#: ../src/Geometry/GeomXYZ.c:5305 ../src/Geometry/GeomXYZ.c:5327 982#: ../src/Geometry/GeomXYZ.c:5408 ../src/Geometry/GeomXYZ.c:5423 983#: ../src/Geometry/GeomXYZ.c:5451 ../src/Geometry/GeomXYZ.c:5474 984#: ../src/Geometry/GeomXYZ.c:5605 ../src/Geometry/GeomXYZ.c:5635 985#: ../src/Geometry/GeomXYZ.c:5752 ../src/Geometry/GeomXYZ.c:5772 986#: ../src/Geometry/GeomXYZ.c:5865 ../src/Geometry/GeomXYZ.c:5880 987#: ../src/Geometry/GeomXYZ.c:5895 ../src/Geometry/GeomXYZ.c:5918 988#: ../src/Geometry/GeomXYZ.c:5940 ../src/Geometry/GeomXYZ.c:6033 989#: ../src/Geometry/GeomXYZ.c:6097 ../src/Geometry/GeomXYZ.c:6204 990#: ../src/Geometry/GeomXYZ.c:6230 ../src/Geometry/GeomXYZ.c:6335 991#: ../src/Geometry/GeomXYZ.c:6343 ../src/Geometry/GeomXYZ.c:6388 992#: ../src/Geometry/GeomXYZ.c:6497 ../src/Geometry/GeomXYZ.c:6505 993#: ../src/Geometry/GeomXYZ.c:6547 ../src/Geometry/GeomXYZ.c:6638 994#: ../src/Geometry/GeomXYZ.c:6644 ../src/Geometry/GeomXYZ.c:6651 995#: ../src/Geometry/GeomXYZ.c:6658 ../src/Geometry/GeomXYZ.c:6667 996#: ../src/Geometry/GeomXYZ.c:6674 ../src/Geometry/GeomXYZ.c:6778 997#: ../src/Geometry/GeomXYZ.c:6785 ../src/Geometry/GeomXYZ.c:6806 998#: ../src/Geometry/GeomXYZ.c:6895 ../src/Geometry/GeomXYZ.c:6903 999#: ../src/Geometry/GeomXYZ.c:6923 ../src/Geometry/GeomXYZ.c:7082 1000#: ../src/Geometry/GeomXYZ.c:7116 ../src/Geometry/GeomXYZ.c:7311 1001#: ../src/Geometry/GeomXYZ.c:7346 ../src/Geometry/GeomXYZ.c:7448 1002#: ../src/Geometry/GeomXYZ.c:7482 ../src/Geometry/GeomXYZ.c:7538 1003#: ../src/Geometry/GeomXYZ.c:7589 ../src/Geometry/GeomXYZ.c:7621 1004#: ../src/Geometry/GeomXYZ.c:7707 ../src/Geometry/GeomXYZ.c:7809 1005#: ../src/Geometry/GeomXYZ.c:7821 ../src/Geometry/GeomXYZ.c:7851 1006#: ../src/Geometry/GeomXYZ.c:8006 ../src/Geometry/GeomXYZ.c:8040 1007#: ../src/Geometry/GeomXYZ.c:8117 ../src/Geometry/GeomXYZ.c:8133 1008#: ../src/Geometry/GeomXYZ.c:8149 ../src/Geometry/GeomXYZ.c:8165 1009#: ../src/Geometry/GeomXYZ.c:8181 ../src/Geometry/GeomXYZ.c:8197 1010#: ../src/Geometry/GeomXYZ.c:8213 ../src/Geometry/GeomXYZ.c:8240 1011#: ../src/Geometry/GeomXYZ.c:8247 ../src/Geometry/GeomXYZ.c:8265 1012#: ../src/Geometry/GeomXYZ.c:8352 ../src/Geometry/GeomXYZ.c:8360 1013#: ../src/Geometry/GeomXYZ.c:8376 ../src/Geometry/GeomXYZ.c:8586 1014#: ../src/Geometry/GeomXYZ.c:8713 ../src/Geometry/GeomXYZ.c:8772 1015#: ../src/Geometry/GeomXYZ.c:8891 ../src/Geometry/GeomXYZ.c:9067 1016#: ../src/Geometry/GeomXYZ.c:9119 ../src/Geometry/GeomXYZ.c:9246 1017#: ../src/Geometry/GeomXYZ.c:9433 ../src/Geometry/GeomXYZ.c:9641 1018#: ../src/Geometry/GeomXYZ.c:9835 ../src/Geometry/GeomXYZ.c:9864 1019#: ../src/Geometry/GeomXYZ.c:9879 ../src/Geometry/GeomXYZ.c:10119 1020#: ../src/Geometry/GeomXYZ.c:10178 ../src/Geometry/GeomXYZ.c:10222 1021#: ../src/Geometry/GeomXYZ.c:10273 ../src/Geometry/GeomXYZ.c:10336 1022#: ../src/Geometry/GeomXYZ.c:10596 ../src/Geometry/GeomXYZ.c:10633 1023#: ../src/Geometry/GeomXYZ.c:10673 ../src/Geometry/GeomXYZ.c:10712 1024#: ../src/Geometry/GeomXYZ.c:10758 ../src/Geometry/GeomXYZ.c:10773 1025#: ../src/Geometry/GeomXYZ.c:11224 ../src/Geometry/GeomXYZ.c:11440 1026#: ../src/Geometry/GeomXYZ.c:11503 ../src/Geometry/GeomXYZ.c:11510 1027#: ../src/Geometry/GeomXYZ.c:11518 ../src/Geometry/GeomXYZ.c:11544 1028#: ../src/Geometry/GeomXYZ.c:11552 ../src/Geometry/GeomXYZ.c:11675 1029#: ../src/Geometry/GeomXYZ.c:11689 ../src/Geometry/GeomXYZ.c:11707 1030#: ../src/Geometry/GeomZmatrix.c:244 ../src/Geometry/GeomZmatrix.c:253 1031#: ../src/Geometry/GeomZmatrix.c:1046 ../src/Geometry/GeomZmatrix.c:1137 1032#: ../src/Geometry/GeomZmatrix.c:1146 ../src/Geometry/GeomZmatrix.c:1153 1033#: ../src/Geometry/GeomZmatrix.c:1193 ../src/Geometry/GeomZmatrix.c:1201 1034#: ../src/Geometry/GeomZmatrix.c:1235 ../src/Geometry/GeomZmatrix.c:1261 1035#: ../src/Geometry/GeomZmatrix.c:1290 ../src/Geometry/GeomZmatrix.c:1440 1036#: ../src/Geometry/GeomZmatrix.c:1473 ../src/Geometry/GeomZmatrix.c:2012 1037#: ../src/Geometry/GeomZmatrix.c:2100 ../src/Geometry/GeomZmatrix.c:2234 1038#: ../src/Geometry/GeomZmatrix.c:2276 ../src/Geometry/GeomZmatrix.c:2350 1039#: ../src/Geometry/GeomZmatrix.c:4038 ../src/Geometry/GeomZmatrix.c:4060 1040#: ../src/Geometry/GeomZmatrix.c:4205 ../src/Geometry/GeomZmatrix.c:4478 1041#: ../src/Geometry/GeomZmatrix.c:4715 ../src/Geometry/GeomZmatrix.c:4766 1042#: ../src/Geometry/GeomZmatrix.c:4969 ../src/Geometry/GeomZmatrix.c:5212 1043#: ../src/Geometry/GeomZmatrix.c:5282 ../src/Geometry/GeomZmatrix.c:5300 1044#: ../src/Geometry/GeomZmatrix.c:5306 ../src/Geometry/GeomZmatrix.c:5355 1045#: ../src/Geometry/GeomZmatrix.c:5421 ../src/Geometry/GeomZmatrix.c:5458 1046#: ../src/Geometry/GeomZmatrix.c:5515 ../src/Geometry/GeomZmatrix.c:5553 1047#: ../src/Geometry/GeomZmatrix.c:5585 ../src/Geometry/GeomZmatrix.c:5592 1048#: ../src/Geometry/GeomZmatrix.c:5647 ../src/Geometry/GeomZmatrix.c:5725 1049#: ../src/Geometry/GeomZmatrix.c:5752 ../src/Geometry/GeomZmatrix.c:5782 1050#: ../src/Geometry/GeomZmatrix.c:5852 ../src/Geometry/GeomZmatrix.c:5960 1051#: ../src/Geometry/GeomZmatrix.c:5988 ../src/Geometry/GeomZmatrix.c:6018 1052#: ../src/Geometry/GeomZmatrix.c:6088 ../src/Geometry/GeomZmatrix.c:6270 1053#: ../src/Geometry/GeomZmatrix.c:6289 ../src/Geometry/GeomZmatrix.c:6295 1054#: ../src/Geometry/GeomZmatrix.c:6343 ../src/Geometry/ImagesGeom.c:37 1055#: ../src/Geometry/ImagesGeom.c:58 ../src/Geometry/ImagesGeom.c:81 1056#: ../src/Geometry/ImagesGeom.c:143 ../src/Geometry/ImagesGeom.c:177 1057#: ../src/Geometry/ImagesGeom.c:184 ../src/Geometry/ImagesGeom.c:252 1058#: ../src/Geometry/ImagesGeom.c:260 ../src/Geometry/ImagesGeom.c:403 1059#: ../src/Geometry/ImagesGeom.c:410 ../src/Geometry/InterfaceGeom.c:688 1060#: ../src/Geometry/MenuToolBarGeom.c:613 1061#: ../src/Geometry/PersonalFragments.c:207 1062#: ../src/Geometry/PersonalFragments.c:374 1063#: ../src/Geometry/PersonalFragments.c:467 1064#: ../src/Geometry/PersonalFragments.c:477 1065#: ../src/Geometry/PersonalFragments.c:489 1066#: ../src/Geometry/PersonalFragments.c:589 1067#: ../src/Geometry/PersonalFragments.c:599 1068#: ../src/Geometry/PersonalFragments.c:802 1069#: ../src/Geometry/PersonalFragments.c:815 1070#: ../src/Geometry/PersonalFragments.c:987 1071#: ../src/Geometry/PersonalFragments.c:1005 ../src/Geometry/Povray.c:1000 1072#: ../src/Geometry/Povray.c:1073 ../src/Geometry/ResultsAnalise.c:136 1073#: ../src/Geometry/ResultsAnalise.c:293 ../src/Geometry/ResultsAnalise.c:420 1074#: ../src/Geometry/ResultsAnalise.c:556 ../src/Geometry/ResultsAnalise.c:725 1075#: ../src/Geometry/ResultsAnalise.c:837 ../src/Geometry/ResultsAnalise.c:987 1076#: ../src/Geometry/ResultsAnalise.c:1110 ../src/Geometry/ResultsAnalise.c:1246 1077#: ../src/Geometry/ResultsAnalise.c:1343 ../src/Geometry/ResultsAnalise.c:1520 1078#: ../src/Geometry/ResultsAnalise.c:1665 ../src/Geometry/ResultsAnalise.c:1803 1079#: ../src/Geometry/ResultsAnalise.c:1924 ../src/Geometry/ResultsAnalise.c:2130 1080#: ../src/Geometry/ResultsAnalise.c:2307 ../src/Geometry/ResultsAnalise.c:2321 1081#: ../src/Geometry/ResultsAnalise.c:2335 ../src/Geometry/ResultsAnalise.c:2349 1082#: ../src/Geometry/ResultsAnalise.c:2363 ../src/Geometry/ResultsAnalise.c:2377 1083#: ../src/Geometry/ResultsAnalise.c:2392 ../src/Geometry/ResultsAnalise.c:2406 1084#: ../src/Geometry/ResultsAnalise.c:2420 ../src/Geometry/ResultsAnalise.c:2434 1085#: ../src/Geometry/ResultsAnalise.c:2448 ../src/Geometry/ResultsAnalise.c:2462 1086#: ../src/Geometry/ResultsAnalise.c:2476 ../src/Geometry/ResultsAnalise.c:2490 1087#: ../src/Geometry/Symmetry.c:548 ../src/Geometry/p.c:19 1088#: ../src/Geometry/p.c:25 ../src/Geometry/p.c:34 ../src/Geometry/p.c:43 1089#: ../src/Geometry/p.c:50 ../src/MPQC/MPQC.c:175 1090#: ../src/MPQC/MPQCBasisLibrary.c:638 ../src/MPQC/MPQCBasisLibrary.c:828 1091#: ../src/Molcas/Molcas.c:172 ../src/Molcas/MolcasBasis.c:393 1092#: ../src/Molcas/MolcasGateWay.c:1536 1093#: ../src/MolecularMechanics/SetPDBTemplate.c:365 ../src/NetWork/Batch.c:717 1094#: ../src/NetWork/Batch.c:831 ../src/NetWork/Batch.c:873 1095#: ../src/NetWork/Batch.c:884 ../src/NetWork/Process.c:627 1096#: ../src/NetWork/Process.c:1091 ../src/NetWork/Process.c:1145 1097#: ../src/NetWork/Process.c:1219 ../src/NetWork/Process.c:1230 1098#: ../src/OpenGL/AnimationContours.c:759 ../src/OpenGL/AnimationContours.c:872 1099#: ../src/OpenGL/AnimationGeomConv.c:264 ../src/OpenGL/AnimationGeomConv.c:326 1100#: ../src/OpenGL/AnimationGeomConv.c:481 ../src/OpenGL/AnimationGeomConv.c:500 1101#: ../src/OpenGL/AnimationGeomConv.c:545 ../src/OpenGL/AnimationGeomConv.c:721 1102#: ../src/OpenGL/AnimationGeomConv.c:741 ../src/OpenGL/AnimationGeomConv.c:827 1103#: ../src/OpenGL/AnimationGeomConv.c:834 ../src/OpenGL/AnimationGeomConv.c:859 1104#: ../src/OpenGL/AnimationGeomConv.c:931 ../src/OpenGL/AnimationGeomConv.c:938 1105#: ../src/OpenGL/AnimationGeomConv.c:962 1106#: ../src/OpenGL/AnimationGeomConv.c:1038 1107#: ../src/OpenGL/AnimationGeomConv.c:1139 1108#: ../src/OpenGL/AnimationGeomConv.c:1181 1109#: ../src/OpenGL/AnimationGeomConv.c:1188 1110#: ../src/OpenGL/AnimationGeomConv.c:1210 1111#: ../src/OpenGL/AnimationGeomConv.c:1283 1112#: ../src/OpenGL/AnimationGeomConv.c:1341 1113#: ../src/OpenGL/AnimationGeomConv.c:1473 1114#: ../src/OpenGL/AnimationGeomConv.c:1479 1115#: ../src/OpenGL/AnimationGeomConv.c:1490 1116#: ../src/OpenGL/AnimationGeomConv.c:1513 1117#: ../src/OpenGL/AnimationGeomConv.c:1520 1118#: ../src/OpenGL/AnimationGeomConv.c:1546 1119#: ../src/OpenGL/AnimationGeomConv.c:1620 1120#: ../src/OpenGL/AnimationGeomConv.c:1666 1121#: ../src/OpenGL/AnimationGeomConv.c:1684 1122#: ../src/OpenGL/AnimationGeomConv.c:1767 1123#: ../src/OpenGL/AnimationGeomConv.c:1774 1124#: ../src/OpenGL/AnimationGeomConv.c:1780 1125#: ../src/OpenGL/AnimationGeomConv.c:1816 1126#: ../src/OpenGL/AnimationGeomConv.c:1897 1127#: ../src/OpenGL/AnimationGeomConv.c:1904 1128#: ../src/OpenGL/AnimationGeomConv.c:1932 1129#: ../src/OpenGL/AnimationGeomConv.c:2004 1130#: ../src/OpenGL/AnimationGeomConv.c:2084 1131#: ../src/OpenGL/AnimationGeomConv.c:2311 1132#: ../src/OpenGL/AnimationGeomConv.c:2326 1133#: ../src/OpenGL/AnimationGeomConv.c:2376 1134#: ../src/OpenGL/AnimationGeomConv.c:2465 1135#: ../src/OpenGL/AnimationGeomConv.c:2586 1136#: ../src/OpenGL/AnimationGeomConv.c:2678 1137#: ../src/OpenGL/AnimationGeomConv.c:2722 1138#: ../src/OpenGL/AnimationGeomConv.c:2801 1139#: ../src/OpenGL/AnimationGeomConv.c:2823 1140#: ../src/OpenGL/AnimationGeomConv.c:2868 1141#: ../src/OpenGL/AnimationGeomConv.c:2945 1142#: ../src/OpenGL/AnimationGeomConv.c:2964 1143#: ../src/OpenGL/AnimationGeomConv.c:3012 1144#: ../src/OpenGL/AnimationGeomConv.c:3094 1145#: ../src/OpenGL/AnimationGeomConv.c:3113 1146#: ../src/OpenGL/AnimationGeomConv.c:3156 1147#: ../src/OpenGL/AnimationGeomConv.c:3184 1148#: ../src/OpenGL/AnimationGeomConv.c:3259 1149#: ../src/OpenGL/AnimationGeomConv.c:3303 1150#: ../src/OpenGL/AnimationGeomConv.c:3383 1151#: ../src/OpenGL/AnimationGeomConv.c:3402 1152#: ../src/OpenGL/AnimationGeomConv.c:3452 1153#: ../src/OpenGL/AnimationGeomConv.c:3496 1154#: ../src/OpenGL/AnimationGeomConv.c:3901 1155#: ../src/OpenGL/AnimationGeomConv.c:4574 1156#: ../src/OpenGL/AnimationGeomConv.c:4848 1157#: ../src/OpenGL/AnimationIsoSurface.c:576 ../src/OpenGL/AnimationMD.c:264 1158#: ../src/OpenGL/AnimationMD.c:294 ../src/OpenGL/AnimationMD.c:391 1159#: ../src/OpenGL/AnimationMD.c:845 ../src/OpenGL/AnimationMD.c:851 1160#: ../src/OpenGL/AnimationMD.c:862 ../src/OpenGL/AnimationMD.c:982 1161#: ../src/OpenGL/AnimationMD.c:1030 ../src/OpenGL/AnimationMD.c:1276 1162#: ../src/OpenGL/AnimationMD.c:1300 ../src/OpenGL/AnimationMD.c:1550 1163#: ../src/OpenGL/AnimationMD.c:1571 ../src/OpenGL/AnimationMD.c:1595 1164#: ../src/OpenGL/AnimationMD.c:1635 ../src/OpenGL/AnimationMD.c:1827 1165#: ../src/OpenGL/AnimationMD.c:2642 ../src/OpenGL/AnimationPlanesMapped.c:540 1166#: ../src/OpenGL/AnimationPlanesMapped.c:624 1167#: ../src/OpenGL/AnimationRotation.c:440 ../src/OpenGL/AnimationRotation.c:511 1168#: ../src/OpenGL/AtomicOrbitals.c:276 ../src/OpenGL/AtomicOrbitals.c:286 1169#: ../src/OpenGL/Basis.c:1117 ../src/OpenGL/Basis.c:1124 1170#: ../src/OpenGL/Basis.c:1132 ../src/OpenGL/Basis.c:1139 1171#: ../src/OpenGL/Basis.c:1146 ../src/OpenGL/Basis.c:1153 1172#: ../src/OpenGL/Basis.c:1160 ../src/OpenGL/Basis.c:1176 1173#: ../src/OpenGL/Basis.c:1184 ../src/OpenGL/Basis.c:1192 1174#: ../src/OpenGL/Basis.c:1200 ../src/OpenGL/Basis.c:1208 1175#: ../src/OpenGL/Basis.c:1218 ../src/OpenGL/Basis.c:1227 1176#: ../src/OpenGL/CaptureOrbitals.c:74 ../src/OpenGL/CaptureOrbitals.c:304 1177#: ../src/OpenGL/CaptureOrbitals.c:314 ../src/OpenGL/CaptureOrbitals.c:325 1178#: ../src/OpenGL/CaptureOrbitals.c:350 ../src/OpenGL/CaptureOrbitals.c:365 1179#: ../src/OpenGL/CaptureOrbitals.c:1047 ../src/OpenGL/CaptureOrbitals.c:1052 1180#: ../src/OpenGL/CaptureOrbitals.c:1059 ../src/OpenGL/Contours.c:275 1181#: ../src/OpenGL/Contours.c:620 ../src/OpenGL/Contours.c:682 1182#: ../src/OpenGL/Contours.c:863 ../src/OpenGL/Dipole.c:233 1183#: ../src/OpenGL/GeomOrbXYZ.c:278 ../src/OpenGL/GeomOrbXYZ.c:299 1184#: ../src/OpenGL/GeomOrbXYZ.c:393 ../src/OpenGL/GeomOrbXYZ.c:482 1185#: ../src/OpenGL/GeomOrbXYZ.c:497 ../src/OpenGL/GeomOrbXYZ.c:715 1186#: ../src/OpenGL/GeomOrbXYZ.c:724 ../src/OpenGL/GeomOrbXYZ.c:894 1187#: ../src/OpenGL/GeomOrbXYZ.c:903 ../src/OpenGL/GeomOrbXYZ.c:911 1188#: ../src/OpenGL/GeomOrbXYZ.c:1051 ../src/OpenGL/GeomOrbXYZ.c:1111 1189#: ../src/OpenGL/GeomOrbXYZ.c:1121 ../src/OpenGL/GeomOrbXYZ.c:1136 1190#: ../src/OpenGL/GeomOrbXYZ.c:1272 ../src/OpenGL/GeomOrbXYZ.c:1301 1191#: ../src/OpenGL/GeomOrbXYZ.c:1382 ../src/OpenGL/GeomOrbXYZ.c:1391 1192#: ../src/OpenGL/GeomOrbXYZ.c:1421 ../src/OpenGL/GeomOrbXYZ.c:1707 1193#: ../src/OpenGL/GeomOrbXYZ.c:1722 ../src/OpenGL/GeomOrbXYZ.c:1762 1194#: ../src/OpenGL/GeomOrbXYZ.c:1958 ../src/OpenGL/GeomOrbXYZ.c:1976 1195#: ../src/OpenGL/GeomOrbXYZ.c:2055 ../src/OpenGL/GeomOrbXYZ.c:2064 1196#: ../src/OpenGL/GeomOrbXYZ.c:2096 ../src/OpenGL/GeomOrbXYZ.c:2182 1197#: ../src/OpenGL/GeomOrbXYZ.c:2192 ../src/OpenGL/GeomOrbXYZ.c:2224 1198#: ../src/OpenGL/GeomOrbXYZ.c:2442 ../src/OpenGL/GeomOrbXYZ.c:2448 1199#: ../src/OpenGL/GeomOrbXYZ.c:2461 ../src/OpenGL/GeomOrbXYZ.c:2483 1200#: ../src/OpenGL/GeomOrbXYZ.c:2490 ../src/OpenGL/GeomOrbXYZ.c:2496 1201#: ../src/OpenGL/GeomOrbXYZ.c:2502 ../src/OpenGL/GeomOrbXYZ.c:2566 1202#: ../src/OpenGL/GeomOrbXYZ.c:2685 ../src/OpenGL/GeomOrbXYZ.c:2726 1203#: ../src/OpenGL/GeomOrbXYZ.c:2820 ../src/OpenGL/GeomOrbXYZ.c:2831 1204#: ../src/OpenGL/GeomOrbXYZ.c:2874 ../src/OpenGL/GeomOrbXYZ.c:3687 1205#: ../src/OpenGL/GeomOrbXYZ.c:3697 ../src/OpenGL/Grid.c:2267 1206#: ../src/OpenGL/Grid.c:2413 ../src/OpenGL/GridAdfDensity.c:107 1207#: ../src/OpenGL/GridAdfDensity.c:154 ../src/OpenGL/GridAdfDensity.c:164 1208#: ../src/OpenGL/GridAdfDensity.c:235 ../src/OpenGL/GridAdfDensity.c:688 1209#: ../src/OpenGL/GridAdfOrbitals.c:108 ../src/OpenGL/GridAdfOrbitals.c:165 1210#: ../src/OpenGL/GridAdfOrbitals.c:236 ../src/OpenGL/GridAdfOrbitals.c:389 1211#: ../src/OpenGL/GridAdfOrbitals.c:868 ../src/OpenGL/GridCP.c:1467 1212#: ../src/OpenGL/GridCP.c:1712 ../src/OpenGL/GridCP.c:1717 1213#: ../src/OpenGL/GridCP.c:1726 ../src/OpenGL/GridCube.c:256 1214#: ../src/OpenGL/GridCube.c:283 ../src/OpenGL/GridCube.c:358 1215#: ../src/OpenGL/GridCube.c:365 ../src/OpenGL/GridCube.c:372 1216#: ../src/OpenGL/GridCube.c:379 ../src/OpenGL/GridCube.c:386 1217#: ../src/OpenGL/GridCube.c:396 ../src/OpenGL/GridCube.c:403 1218#: ../src/OpenGL/GridCube.c:410 ../src/OpenGL/GridCube.c:419 1219#: ../src/OpenGL/GridCube.c:424 ../src/OpenGL/GridCube.c:431 1220#: ../src/OpenGL/GridCube.c:438 ../src/OpenGL/GridCube.c:447 1221#: ../src/OpenGL/GridCube.c:452 ../src/OpenGL/GridCube.c:458 1222#: ../src/OpenGL/GridCube.c:465 ../src/OpenGL/GridCube.c:474 1223#: ../src/OpenGL/GridCube.c:479 ../src/OpenGL/GridCube.c:489 1224#: ../src/OpenGL/GridCube.c:499 ../src/OpenGL/GridCube.c:618 1225#: ../src/OpenGL/GridCube.c:625 ../src/OpenGL/GridCube.c:632 1226#: ../src/OpenGL/GridCube.c:639 ../src/OpenGL/GridCube.c:646 1227#: ../src/OpenGL/GridCube.c:656 ../src/OpenGL/GridCube.c:663 1228#: ../src/OpenGL/GridCube.c:670 ../src/OpenGL/GridCube.c:679 1229#: ../src/OpenGL/GridCube.c:684 ../src/OpenGL/GridCube.c:691 1230#: ../src/OpenGL/GridCube.c:698 ../src/OpenGL/GridCube.c:707 1231#: ../src/OpenGL/GridCube.c:712 ../src/OpenGL/GridCube.c:718 1232#: ../src/OpenGL/GridCube.c:725 ../src/OpenGL/GridCube.c:734 1233#: ../src/OpenGL/GridCube.c:739 ../src/OpenGL/GridCube.c:749 1234#: ../src/OpenGL/GridCube.c:760 ../src/OpenGL/GridCube.c:897 1235#: ../src/OpenGL/GridCube.c:936 ../src/OpenGL/GridCube.c:949 1236#: ../src/OpenGL/GridCube.c:1147 ../src/OpenGL/GridCube.c:1153 1237#: ../src/OpenGL/GridCube.c:1159 ../src/OpenGL/GridCube.c:1165 1238#: ../src/OpenGL/GridCube.c:1171 ../src/OpenGL/GridCube.c:1177 1239#: ../src/OpenGL/GridCube.c:1197 ../src/OpenGL/GridCube.c:1227 1240#: ../src/OpenGL/GridCube.c:1315 ../src/OpenGL/GridCube.c:1327 1241#: ../src/OpenGL/GridCube.c:1336 ../src/OpenGL/GridCube.c:1345 1242#: ../src/OpenGL/GridCube.c:1354 ../src/OpenGL/GridCube.c:1438 1243#: ../src/OpenGL/GridCube.c:1551 ../src/OpenGL/GridCube.c:1584 1244#: ../src/OpenGL/GridCube.c:1593 ../src/OpenGL/GridCube.c:1602 1245#: ../src/OpenGL/GridCube.c:1611 ../src/OpenGL/GridCube.c:1677 1246#: ../src/OpenGL/GridCube.c:1704 ../src/OpenGL/GridCube.c:1961 1247#: ../src/OpenGL/GridCube.c:1980 ../src/OpenGL/GridCube.c:2000 1248#: ../src/OpenGL/GridCube.c:2048 ../src/OpenGL/GridMolcas.c:181 1249#: ../src/OpenGL/GridMolcas.c:187 ../src/OpenGL/GridMolcas.c:292 1250#: ../src/OpenGL/GridMolcas.c:344 ../src/OpenGL/GridMolcas.c:493 1251#: ../src/OpenGL/GridMolcas.c:875 ../src/OpenGL/GridMolcas.c:898 1252#: ../src/OpenGL/GridMolcas.c:904 ../src/OpenGL/GridMolcas.c:939 1253#: ../src/OpenGL/GridMolcas.c:965 ../src/OpenGL/GridMolcas.c:971 1254#: ../src/OpenGL/GridMolcas.c:982 ../src/OpenGL/GridPlans.c:304 1255#: ../src/OpenGL/GridPlans.c:309 ../src/OpenGL/GridPlans.c:316 1256#: ../src/OpenGL/GridPlans.c:371 ../src/OpenGL/GridPlans.c:377 1257#: ../src/OpenGL/GridPlans.c:390 ../src/OpenGL/GridPlans.c:537 1258#: ../src/OpenGL/GridPlans.c:542 ../src/OpenGL/GridQChem.c:75 1259#: ../src/OpenGL/GridQChem.c:94 ../src/OpenGL/GridQChem.c:108 1260#: ../src/OpenGL/GridQChem.c:114 ../src/OpenGL/GridQChem.c:174 1261#: ../src/OpenGL/GridQChem.c:310 ../src/OpenGL/GridQChem.c:325 1262#: ../src/OpenGL/GridQChem.c:334 ../src/OpenGL/Images.c:70 1263#: ../src/OpenGL/Images.c:91 ../src/OpenGL/Images.c:112 1264#: ../src/OpenGL/Images.c:206 ../src/OpenGL/Images.c:218 1265#: ../src/OpenGL/Images.c:322 ../src/OpenGL/Images.c:334 1266#: ../src/OpenGL/Images.c:425 ../src/OpenGL/Images.c:443 1267#: ../src/OpenGL/Images.c:457 ../src/OpenGL/IntegralOrbitals.c:566 1268#: ../src/OpenGL/IntegralOrbitals.c:576 ../src/OpenGL/IntegralOrbitals.c:587 1269#: ../src/OpenGL/IntegralOrbitals.c:612 ../src/OpenGL/IntegralOrbitals.c:627 1270#: ../src/OpenGL/IntegralOrbitals.c:653 ../src/OpenGL/IntegralOrbitals.c:1136 1271#: ../src/OpenGL/IntegralOrbitals.c:1141 ../src/OpenGL/IntegralOrbitals.c:1146 1272#: ../src/OpenGL/IntegralOrbitals.c:1153 ../src/OpenGL/IntegralOrbitals.c:1284 1273#: ../src/OpenGL/IntegralOrbitals.c:1290 ../src/OpenGL/IntegralOrbitals.c:1296 1274#: ../src/OpenGL/IntegralOrbitals.c:1494 ../src/OpenGL/IntegralOrbitals.c:1504 1275#: ../src/OpenGL/IntegralOrbitals.c:1515 ../src/OpenGL/IntegralOrbitals.c:1540 1276#: ../src/OpenGL/IntegralOrbitals.c:1555 ../src/OpenGL/IntegralOrbitals.c:1581 1277#: ../src/OpenGL/IntegralOrbitals.c:1735 ../src/OpenGL/IntegralOrbitals.c:1740 1278#: ../src/OpenGL/IntegralOrbitals.c:1745 ../src/OpenGL/IntegralOrbitals.c:1752 1279#: ../src/OpenGL/IntegralOrbitals.c:1958 ../src/OpenGL/IntegralOrbitals.c:1968 1280#: ../src/OpenGL/IntegralOrbitals.c:1979 ../src/OpenGL/IntegralOrbitals.c:2004 1281#: ../src/OpenGL/IntegralOrbitals.c:2019 ../src/OpenGL/IntegralOrbitals.c:2045 1282#: ../src/OpenGL/IntegralOrbitals.c:2200 ../src/OpenGL/IntegralOrbitals.c:2205 1283#: ../src/OpenGL/IntegralOrbitals.c:2210 ../src/OpenGL/IntegralOrbitals.c:2217 1284#: ../src/OpenGL/MenuToolBarGL.c:235 ../src/OpenGL/MenuToolBarGL.c:305 1285#: ../src/OpenGL/MenuToolBarGL.c:310 ../src/OpenGL/MenuToolBarGL.c:315 1286#: ../src/OpenGL/MenuToolBarGL.c:320 ../src/OpenGL/MenuToolBarGL.c:325 1287#: ../src/OpenGL/MenuToolBarGL.c:330 ../src/OpenGL/MenuToolBarGL.c:335 1288#: ../src/OpenGL/MenuToolBarGL.c:340 ../src/OpenGL/Orbitals.c:229 1289#: ../src/OpenGL/Orbitals.c:237 ../src/OpenGL/Orbitals.c:299 1290#: ../src/OpenGL/Orbitals.c:309 ../src/OpenGL/Orbitals.c:320 1291#: ../src/OpenGL/Orbitals.c:345 ../src/OpenGL/Orbitals.c:360 1292#: ../src/OpenGL/Orbitals.c:897 ../src/OpenGL/Orbitals.c:1025 1293#: ../src/OpenGL/Orbitals.c:1117 ../src/OpenGL/Orbitals.c:1295 1294#: ../src/OpenGL/Orbitals.c:1337 ../src/OpenGL/Orbitals.c:1347 1295#: ../src/OpenGL/Orbitals.c:1392 ../src/OpenGL/Orbitals.c:1738 1296#: ../src/OpenGL/Orbitals.c:1748 ../src/OpenGL/Orbitals.c:1781 1297#: ../src/OpenGL/Orbitals.c:1910 ../src/OpenGL/Orbitals.c:2002 1298#: ../src/OpenGL/Orbitals.c:2010 ../src/OpenGL/Orbitals.c:2020 1299#: ../src/OpenGL/Orbitals.c:2034 ../src/OpenGL/Orbitals.c:2138 1300#: ../src/OpenGL/Orbitals.c:2201 ../src/OpenGL/Orbitals.c:2300 1301#: ../src/OpenGL/OrbitalsDalton.c:102 ../src/OpenGL/OrbitalsDalton.c:134 1302#: ../src/OpenGL/OrbitalsDalton.c:208 ../src/OpenGL/OrbitalsDalton.c:217 1303#: ../src/OpenGL/OrbitalsDalton.c:235 ../src/OpenGL/OrbitalsDalton.c:260 1304#: ../src/OpenGL/OrbitalsDalton.c:298 ../src/OpenGL/OrbitalsDalton.c:307 1305#: ../src/OpenGL/OrbitalsDalton.c:334 ../src/OpenGL/OrbitalsGamess.c:112 1306#: ../src/OpenGL/OrbitalsGamess.c:121 ../src/OpenGL/OrbitalsGamess.c:161 1307#: ../src/OpenGL/OrbitalsGamess.c:377 ../src/OpenGL/OrbitalsGamess.c:386 1308#: ../src/OpenGL/OrbitalsGamess.c:417 ../src/OpenGL/OrbitalsGamess.c:435 1309#: ../src/OpenGL/OrbitalsGamess.c:765 ../src/OpenGL/OrbitalsGamess.c:775 1310#: ../src/OpenGL/OrbitalsGamess.c:867 ../src/OpenGL/OrbitalsGamess.c:1127 1311#: ../src/OpenGL/OrbitalsGamess.c:1187 ../src/OpenGL/OrbitalsGamess.c:1198 1312#: ../src/OpenGL/OrbitalsMolpro.c:576 ../src/OpenGL/OrbitalsMolpro.c:585 1313#: ../src/OpenGL/OrbitalsMolpro.c:603 ../src/OpenGL/OrbitalsMolpro.c:624 1314#: ../src/OpenGL/OrbitalsMolpro.c:864 ../src/OpenGL/OrbitalsMolpro.c:875 1315#: ../src/OpenGL/OrbitalsMolpro.c:894 ../src/OpenGL/OrbitalsMolpro.c:1174 1316#: ../src/OpenGL/OrbitalsMolpro.c:1182 ../src/OpenGL/OrbitalsMolpro.c:1524 1317#: ../src/OpenGL/OrbitalsMolpro.c:1785 ../src/OpenGL/OrbitalsMopac.c:112 1318#: ../src/OpenGL/OrbitalsMopac.c:121 ../src/OpenGL/OrbitalsMopac.c:153 1319#: ../src/OpenGL/OrbitalsMopac.c:162 ../src/OpenGL/OrbitalsMopac.c:215 1320#: ../src/OpenGL/OrbitalsMopac.c:224 ../src/OpenGL/OrbitalsMopac.c:258 1321#: ../src/OpenGL/OrbitalsMopac.c:267 ../src/OpenGL/OrbitalsMopac.c:293 1322#: ../src/OpenGL/OrbitalsMopac.c:302 ../src/OpenGL/OrbitalsMopac.c:326 1323#: ../src/OpenGL/OrbitalsMopac.c:335 ../src/OpenGL/OrbitalsMopac.c:1194 1324#: ../src/OpenGL/OrbitalsMopac.c:1305 ../src/OpenGL/OrbitalsOrca.c:61 1325#: ../src/OpenGL/OrbitalsOrca.c:85 ../src/OpenGL/OrbitalsOrca.c:322 1326#: ../src/OpenGL/OrbitalsOrca.c:331 ../src/OpenGL/OrbitalsOrca.c:361 1327#: ../src/OpenGL/OrbitalsOrca.c:438 ../src/OpenGL/OrbitalsOrca.c:551 1328#: ../src/OpenGL/OrbitalsOrca.c:561 ../src/OpenGL/OrbitalsOrca.c:583 1329#: ../src/OpenGL/OrbitalsOrca.c:692 ../src/OpenGL/OrbitalsQChem.c:112 1330#: ../src/OpenGL/OrbitalsQChem.c:121 ../src/OpenGL/OrbitalsQChem.c:152 1331#: ../src/OpenGL/OrbitalsQChem.c:439 ../src/OpenGL/OrbitalsQChem.c:448 1332#: ../src/OpenGL/OrbitalsQChem.c:469 ../src/OpenGL/OrbitalsQChem.c:486 1333#: ../src/OpenGL/OrbitalsQChem.c:829 ../src/OpenGL/OrbitalsQChem.c:839 1334#: ../src/OpenGL/OrbitalsQChem.c:926 ../src/OpenGL/OrbitalsQChem.c:1163 1335#: ../src/OpenGL/OrbitalsQChem.c:1186 ../src/OpenGL/OrbitalsQChem.c:1222 1336#: ../src/OpenGL/OrbitalsQChem.c:1233 ../src/OpenGL/PlanesMapped.c:149 1337#: ../src/OpenGL/PlanesMapped.c:256 ../src/OpenGL/UtilsOrb.c:225 1338#: ../src/OpenGL/UtilsOrb.c:323 ../src/OpenGL/UtilsOrb.c:348 1339#: ../src/OpenGL/UtilsOrb.c:392 ../src/OpenGL/UtilsOrb.c:445 1340#: ../src/OpenGL/UtilsOrb.c:498 ../src/OpenGL/UtilsOrb.c:538 1341#: ../src/OpenGL/UtilsOrb.c:1077 ../src/OpenGL/UtilsOrb.c:1082 1342#: ../src/OpenGL/UtilsOrb.c:1088 ../src/OpenGL/UtilsOrb.c:1095 1343#: ../src/OpenGL/UtilsOrb.c:1182 ../src/OpenGL/UtilsOrb.c:1192 1344#: ../src/OpenGL/UtilsOrb.c:1203 ../src/OpenGL/UtilsOrb.c:1228 1345#: ../src/OpenGL/UtilsOrb.c:1243 ../src/OpenGL/UtilsOrb.c:1291 1346#: ../src/OpenGL/UtilsOrb.c:1296 ../src/OpenGL/UtilsOrb.c:1302 1347#: ../src/OpenGL/UtilsOrb.c:1309 ../src/OpenGL/UtilsOrb.c:1383 1348#: ../src/OpenGL/UtilsOrb.c:1392 ../src/OpenGL/UtilsOrb.c:1412 1349#: ../src/OpenGL/UtilsOrb.c:1418 ../src/OpenGL/UtilsOrb.c:1770 1350#: ../src/OpenGL/UtilsOrb.c:1780 ../src/OpenGL/UtilsOrb.c:1802 1351#: ../src/OpenGL/UtilsOrb.c:1813 ../src/OpenGL/UtilsOrb.c:1838 1352#: ../src/OpenGL/UtilsOrb.c:1853 ../src/OpenGL/UtilsOrb.c:2128 1353#: ../src/OpenGL/UtilsOrb.c:2625 ../src/OpenGL/Vibration.c:420 1354#: ../src/OpenGL/Vibration.c:479 ../src/OpenGL/Vibration.c:676 1355#: ../src/OpenGL/Vibration.c:878 ../src/OpenGL/Vibration.c:1041 1356#: ../src/OpenGL/Vibration.c:1061 ../src/OpenGL/Vibration.c:1128 1357#: ../src/OpenGL/Vibration.c:1234 ../src/OpenGL/Vibration.c:1248 1358#: ../src/OpenGL/Vibration.c:1374 ../src/OpenGL/Vibration.c:1506 1359#: ../src/OpenGL/Vibration.c:1542 ../src/OpenGL/Vibration.c:1592 1360#: ../src/OpenGL/Vibration.c:1647 ../src/OpenGL/Vibration.c:1698 1361#: ../src/OpenGL/Vibration.c:1831 ../src/OpenGL/Vibration.c:1851 1362#: ../src/OpenGL/Vibration.c:1990 ../src/OpenGL/Vibration.c:2012 1363#: ../src/OpenGL/Vibration.c:2101 ../src/OpenGL/Vibration.c:2534 1364#: ../src/OpenGL/Vibration.c:2939 ../src/OpenGL/Vibration.c:2965 1365#: ../src/OpenGL/Vibration.c:2974 ../src/OpenGL/Vibration.c:2983 1366#: ../src/OpenGL/Vibration.c:3111 ../src/OpenGL/Vibration.c:3132 1367#: ../src/OpenGL/Vibration.c:3201 ../src/OpenGL/Vibration.c:3219 1368#: ../src/OpenGL/Vibration.c:3258 ../src/OpenGL/Vibration.c:3306 1369#: ../src/OpenGL/Vibration.c:3342 ../src/OpenGL/Vibration.c:3352 1370#: ../src/OpenGL/Vibration.c:3369 ../src/OpenGL/Vibration.c:3386 1371#: ../src/OpenGL/Vibration.c:3396 ../src/OpenGL/Vibration.c:3413 1372#: ../src/OpenGL/Vibration.c:3595 ../src/OpenGL/Vibration.c:3780 1373#: ../src/OpenGL/Vibration.c:4387 ../src/Orca/Orca.c:157 1374#: ../src/Spectrum/DOS.c:61 ../src/Spectrum/DOS.c:227 1375#: ../src/Spectrum/ECDSpectrum.c:127 ../src/Spectrum/IRSpectrum.c:126 1376#: ../src/Spectrum/IRSpectrum.c:133 ../src/Spectrum/IRSpectrum.c:1145 1377#: ../src/Spectrum/NMRSpectrum.c:1748 ../src/Spectrum/RamanSpectrum.c:126 1378#: ../src/Spectrum/RamanSpectrum.c:133 ../src/Spectrum/RamanSpectrum.c:735 1379#: ../src/Spectrum/UVSpectrum.c:127 1380#: ../src/Symmetry/MoleculeSymmetryInterface.c:167 1381#: ../src/Symmetry/MoleculeSymmetryInterface.c:282 1382#: ../src/Symmetry/MoleculeSymmetryInterface.c:303 1383#: ../src/Utils/GabeditContoursPlot.c:1555 1384#: ../src/Utils/GabeditContoursPlot.c:1562 1385#: ../src/Utils/GabeditContoursPlot.c:1706 1386#: ../src/Utils/GabeditContoursPlot.c:5136 1387#: ../src/Utils/GabeditContoursPlot.c:5143 ../src/Utils/Utils.c:618 1388#: ../src/Utils/UtilsInterface.c:474 ../src/Utils/UtilsInterface.c:1247 1389#: ../src/Utils/UtilsInterface.c:1463 ../src/Utils/UtilsInterface.c:2220 1390#: ../src/VibrationalCorrections/GabeditGaussianInput.c:197 1391#: ../src/VibrationalCorrections/GabeditGaussianInput.c:210 1392#: ../src/VibrationalCorrections/GabeditGaussianInput.c:945 1393msgid "Error" 1394msgstr "" 1395 1396#: ../src/Common/Printer.c:532 1397#, c-format 1398msgid "Printed.%d charaters\n" 1399msgstr "" 1400 1401#: ../src/Common/Printer.c:536 1402msgid "Could not start document." 1403msgstr "" 1404 1405#: ../src/Common/Printer.c:541 1406msgid "Could not create device context." 1407msgstr "" 1408 1409#: ../src/Common/Printer.c:546 1410msgid "Canceled or printer could not be setup." 1411msgstr "" 1412 1413#: ../src/Common/Run.c:369 ../src/Files/ListeFiles.c:1294 1414#: ../src/Files/ListeFiles.c:1334 1415#: ../src/IsotopeDistribution/IsotopeDistributionCalculatorDlg.c:613 1416#: ../src/NetWork/Batch.c:814 ../src/NetWork/Process.c:1071 1417msgid "Output" 1418msgstr "" 1419 1420#: ../src/Common/Run.c:382 ../src/FireFly/FireFly.c:204 1421#: ../src/Gamess/Gamess.c:187 ../src/Gaussian/GInterfaceBasis.c:511 1422#: ../src/Gaussian/GInterfaceBasis.c:673 ../src/Gaussian/GInterfaceLink.c:111 1423#: ../src/Gaussian/GInterfaceRoute.c:401 ../src/Gaussian/GInterfaceRoute.c:566 1424#: ../src/Gaussian/GInterfaceRoute.c:718 ../src/Gaussian/Gaussian.c:1206 1425#: ../src/Geometry/BuildLinear.c:241 ../src/Geometry/BuildNanoTube.c:274 1426#: ../src/Geometry/BuildRing.c:252 ../src/Geometry/DrawGeom.c:3055 1427#: ../src/Geometry/DrawGeom.c:3147 ../src/Geometry/DrawGeom.c:3275 1428#: ../src/Geometry/DrawGeom.c:3403 ../src/Geometry/DrawGeom.c:3531 1429#: ../src/Geometry/DrawGeom.c:3665 ../src/Geometry/DrawGeom.c:3764 1430#: ../src/Geometry/DrawGeom.c:3900 ../src/Geometry/DrawGeom.c:3980 1431#: ../src/Geometry/GeomXYZ.c:2773 ../src/Geometry/GeomXYZ.c:2938 1432#: ../src/Geometry/GeomXYZ.c:11305 ../src/Geometry/GeomXYZ.c:11654 1433#: ../src/Geometry/GeomXYZ.c:11760 ../src/Geometry/GeomZmatrix.c:2425 1434#: ../src/Geometry/GeomZmatrix.c:3646 ../src/Geometry/GeomZmatrix.c:3845 1435#: ../src/Geometry/GeomZmatrix.c:6783 ../src/Geometry/GeomZmatrix.c:6890 1436#: ../src/Geometry/PersonalFragments.c:273 1437#: ../src/Geometry/PersonalFragments.c:412 1438#: ../src/Geometry/PersonalFragments.c:681 1439#: ../src/Geometry/PersonalFragments.c:874 ../src/MPQC/MPQCBasisLibrary.c:783 1440#: ../src/MPQC/MPQCBasisLibrary.c:920 ../src/MPQC/MPQCBasisLibrary.c:1039 1441#: ../src/MPQC/MPQCFunctionals.c:575 ../src/Molcas/Molcas.c:196 1442#: ../src/MolecularMechanics/SetPDBTemplate.c:518 1443#: ../src/Molpro/MInterfaceComm.c:136 ../src/Molpro/MInterfaceComm.c:196 1444#: ../src/Molpro/MInterfaceComm.c:259 ../src/Molpro/MInterfaceComm.c:321 1445#: ../src/Molpro/MInterfaceComm.c:379 ../src/Molpro/MInterfaceComm.c:504 1446#: ../src/Molpro/MInterfaceComm.c:575 ../src/Molpro/MInterfaceComm.c:649 1447#: ../src/Molpro/MInterfaceComm.c:763 ../src/Molpro/Molpro.c:709 1448#: ../src/Molpro/MolproBasisLibrary.c:829 1449#: ../src/Molpro/MolproBasisLibrary.c:963 ../src/Mopac/Mopac.c:181 1450#: ../src/NetWork/Batch.c:363 ../src/NetWork/Batch.c:677 1451#: ../src/NetWork/Batch.c:840 ../src/NetWork/Process.c:490 1452#: ../src/NetWork/Process.c:728 ../src/NetWork/Process.c:1103 1453#: ../src/OpenGL/AnimationGeomConv.c:4825 ../src/OpenGL/Contours.c:895 1454#: ../src/OpenGL/GridCube.c:326 ../src/OpenGL/GridCube.c:1516 1455#: ../src/OpenGL/GridPlans.c:576 ../src/OpenGL/IntegralOrbitals.c:1235 1456#: ../src/OpenGL/IntegralOrbitals.c:1817 ../src/OpenGL/IntegralOrbitals.c:2298 1457#: ../src/OpenGL/LabelsGL.c:747 ../src/OpenGL/Orbitals.c:475 1458#: ../src/OpenGL/Orbitals.c:1057 ../src/OpenGL/Orbitals.c:1185 1459#: ../src/OpenGL/OrbitalsMolpro.c:1747 ../src/OpenGL/PlanesMapped.c:182 1460#: ../src/OpenGL/PlanesMapped.c:287 ../src/OpenGL/PreferencesOrb.c:166 1461#: ../src/OpenGL/PreferencesOrb.c:528 ../src/OpenGL/PreferencesOrb.c:578 1462#: ../src/OpenGL/PrincipalAxisGL.c:569 ../src/OpenGL/TriangleDraw.c:475 1463#: ../src/OpenGL/UtilsOrb.c:1125 ../src/OpenGL/UtilsOrb.c:1340 1464#: ../src/OpenGL/UtilsOrb.c:2158 ../src/OpenGL/UtilsOrb.c:2276 1465#: ../src/OpenGL/UtilsOrb.c:2585 ../src/OpenGL/UtilsOrb.c:2703 1466#: ../src/OpenGL/Vibration.c:653 ../src/Orca/Orca.c:180 1467#: ../src/QChem/QChem.c:187 ../src/Spectrum/UVSpectrum.c:711 1468#: ../src/Utils/AtomsProp.c:1334 ../src/Utils/UtilsInterface.c:542 1469#: ../src/Utils/UtilsInterface.c:543 ../src/Utils/UtilsInterface.c:640 1470#: ../src/Utils/UtilsInterface.c:688 ../src/Utils/UtilsInterface.c:2892 1471#: ../src/VibrationalCorrections/GabeditGaussianInput.c:260 1472msgid "OK" 1473msgstr "" 1474 1475#: ../src/Common/Run.c:448 ../src/Common/Run.c:462 ../src/Common/Run.c:486 1476#: ../src/Common/Run.c:497 ../src/Common/Run.c:506 ../src/Common/Run.c:515 1477#: ../src/Common/Run.c:529 ../src/Common/Run.c:538 ../src/Common/Run.c:553 1478#: ../src/Common/Run.c:563 ../src/Common/Run.c:573 ../src/Common/Run.c:582 1479#: ../src/Common/Run.c:597 1480#, c-format 1481msgid "" 1482"\n" 1483"Get %s file from remote host :\n" 1484msgstr "" 1485 1486#: ../src/Common/Run.c:851 ../src/Common/Run.c:1027 ../src/Common/Run.c:1099 1487#: ../src/Common/Run.c:1197 ../src/Common/Run.c:1271 ../src/Common/Run.c:1439 1488#: ../src/Common/Run.c:1529 ../src/Common/Run.c:1719 ../src/Common/Run.c:1782 1489#: ../src/Common/Run.c:1838 ../src/Common/Run.c:1976 ../src/Common/Run.c:2564 1490#: ../src/Common/Run.c:2711 ../src/Common/Run.c:2859 ../src/Common/Run.c:3041 1491#: ../src/Common/Run.c:3181 ../src/Common/Run.c:3322 1492msgid "" 1493"\n" 1494"I can not create cmd file\n" 1495msgstr "" 1496 1497#: ../src/Common/Run.c:987 ../src/Common/Run.c:1153 ../src/Common/Run.c:1400 1498#, c-format 1499msgid "echo Job %s.inp finished.\n" 1500msgstr "" 1501 1502#: ../src/Common/Run.c:1380 1503#, c-format 1504msgid "echo Running %s.inp ....\n" 1505msgstr "" 1506 1507#: ../src/Common/Run.c:1938 1508#, c-format 1509msgid "Run Orca at host :%s, Login : %s" 1510msgstr "" 1511 1512#: ../src/Common/Run.c:1953 ../src/Common/Run.c:1954 ../src/Common/Run.c:2100 1513#: ../src/Common/Run.c:2101 ../src/Common/Run.c:2247 ../src/Common/Run.c:2248 1514#: ../src/Common/Run.c:2394 ../src/Common/Run.c:2395 ../src/Common/Run.c:2541 1515#: ../src/Common/Run.c:2542 ../src/Common/Run.c:2688 ../src/Common/Run.c:2689 1516#: ../src/Common/Run.c:2836 ../src/Common/Run.c:2837 ../src/Common/Run.c:3018 1517#: ../src/Common/Run.c:3019 ../src/Common/Run.c:3159 ../src/Common/Run.c:3160 1518#: ../src/Common/Run.c:3300 ../src/Common/Run.c:3301 1519msgid "" 1520"\n" 1521"Make Working Directory remote host :\n" 1522" " 1523msgstr "" 1524 1525#: ../src/Common/Run.c:1966 ../src/Common/Run.c:1967 ../src/Common/Run.c:2113 1526#: ../src/Common/Run.c:2114 ../src/Common/Run.c:2260 ../src/Common/Run.c:2261 1527#: ../src/Common/Run.c:2407 ../src/Common/Run.c:2408 ../src/Common/Run.c:2554 1528#: ../src/Common/Run.c:2555 ../src/Common/Run.c:2701 ../src/Common/Run.c:2702 1529#: ../src/Common/Run.c:2849 ../src/Common/Run.c:2850 ../src/Common/Run.c:3031 1530#: ../src/Common/Run.c:3032 ../src/Common/Run.c:3171 ../src/Common/Run.c:3172 1531#: ../src/Common/Run.c:3312 ../src/Common/Run.c:3313 1532msgid "" 1533"\n" 1534"Put Data File at remote host :\n" 1535" " 1536msgstr "" 1537 1538#: ../src/Common/Run.c:1987 ../src/Common/Run.c:1988 ../src/Common/Run.c:2134 1539#: ../src/Common/Run.c:2135 ../src/Common/Run.c:2281 ../src/Common/Run.c:2282 1540#: ../src/Common/Run.c:2428 ../src/Common/Run.c:2429 ../src/Common/Run.c:2575 1541#: ../src/Common/Run.c:2576 ../src/Common/Run.c:2722 ../src/Common/Run.c:2723 1542#: ../src/Common/Run.c:2869 ../src/Common/Run.c:2870 ../src/Common/Run.c:3052 1543#: ../src/Common/Run.c:3053 ../src/Common/Run.c:3192 ../src/Common/Run.c:3193 1544#: ../src/Common/Run.c:3333 ../src/Common/Run.c:3334 1545msgid "" 1546"\n" 1547"Put CMD File at remote host :\n" 1548" " 1549msgstr "" 1550 1551#: ../src/Common/Run.c:1999 ../src/Common/Run.c:2000 ../src/Common/Run.c:2440 1552#: ../src/Common/Run.c:2441 ../src/Common/Run.c:2587 ../src/Common/Run.c:2588 1553#: ../src/Common/Run.c:2734 ../src/Common/Run.c:2735 ../src/Common/Run.c:2881 1554#: ../src/Common/Run.c:2882 ../src/Common/Run.c:3064 ../src/Common/Run.c:3065 1555#: ../src/Common/Run.c:3203 ../src/Common/Run.c:3204 ../src/Common/Run.c:3344 1556#: ../src/Common/Run.c:3345 1557msgid "" 1558"\n" 1559"chmod for cmd file :\n" 1560msgstr "" 1561 1562#: ../src/Common/Run.c:2009 ../src/Common/Run.c:2010 1563msgid "" 1564"\n" 1565"Run Orca at remote host :\n" 1566msgstr "" 1567 1568#: ../src/Common/Run.c:2085 1569#, c-format 1570msgid "Run FireFly at host :%s, Login : %s" 1571msgstr "" 1572 1573#: ../src/Common/Run.c:2123 ../src/Common/Run.c:2270 ../src/Common/Run.c:2417 1574#: ../src/Geometry/Povray.c:1000 1575msgid "" 1576"\n" 1577"I can not create cmd file\n" 1578" " 1579msgstr "" 1580 1581#: ../src/Common/Run.c:2146 ../src/Common/Run.c:2147 ../src/Common/Run.c:2293 1582#: ../src/Common/Run.c:2294 1583msgid "" 1584"\n" 1585"chmod for cmd file :\n" 1586" " 1587msgstr "" 1588 1589#: ../src/Common/Run.c:2156 ../src/Common/Run.c:2157 1590msgid "" 1591"\n" 1592"Run FireFly at remote host :\n" 1593" " 1594msgstr "" 1595 1596#: ../src/Common/Run.c:2232 1597#, c-format 1598msgid "Run Q-Chem at host :%s, Login : %s" 1599msgstr "" 1600 1601#: ../src/Common/Run.c:2303 ../src/Common/Run.c:2304 1602msgid "" 1603"\n" 1604"Run Q-Chem at remote host :\n" 1605" " 1606msgstr "" 1607 1608#: ../src/Common/Run.c:2379 1609#, c-format 1610msgid "Run Mopac at host :%s, Login : %s" 1611msgstr "" 1612 1613#: ../src/Common/Run.c:2450 ../src/Common/Run.c:2451 1614msgid "" 1615"\n" 1616"Run Mopac at remote host :\n" 1617" " 1618msgstr "" 1619 1620#: ../src/Common/Run.c:2526 1621#, c-format 1622msgid "Run Gamess at host :%s, Login : %s" 1623msgstr "" 1624 1625#: ../src/Common/Run.c:2597 ../src/Common/Run.c:2598 1626msgid "" 1627"\n" 1628"Run gamess at remote host :\n" 1629" " 1630msgstr "" 1631 1632#: ../src/Common/Run.c:2673 1633#, c-format 1634msgid "Run Gaussian at host :%s, Login : %s" 1635msgstr "" 1636 1637#: ../src/Common/Run.c:2744 ../src/Common/Run.c:2745 ../src/Common/Run.c:3354 1638#: ../src/Common/Run.c:3355 1639msgid "" 1640"\n" 1641"Run gaussian at remote host :\n" 1642" " 1643msgstr "" 1644 1645#: ../src/Common/Run.c:2821 1646#, c-format 1647msgid "Run molcas at host :%s, Login : %s" 1648msgstr "" 1649 1650#: ../src/Common/Run.c:2892 ../src/Common/Run.c:2893 1651msgid "" 1652"\n" 1653"Run molcas at remote host :\n" 1654" " 1655msgstr "" 1656 1657#: ../src/Common/Run.c:3003 1658#, c-format 1659msgid "Run molpro at host :%s, Login : %s" 1660msgstr "" 1661 1662#: ../src/Common/Run.c:3075 ../src/Common/Run.c:3076 1663msgid "" 1664"\n" 1665"Run molpro at remote host :\n" 1666" " 1667msgstr "" 1668 1669#: ../src/Common/Run.c:3146 1670#, c-format 1671msgid "Run MPQC at host :%s, Login : %s" 1672msgstr "" 1673 1674#: ../src/Common/Run.c:3213 ../src/Common/Run.c:3214 1675msgid "" 1676"\n" 1677"Run MPQC at remote host :\n" 1678" " 1679msgstr "" 1680 1681#: ../src/Common/Run.c:3286 1682#, c-format 1683msgid "Run \"%s %s\" Command at host : %s, Login : %s" 1684msgstr "" 1685 1686#: ../src/Common/Run.c:3442 1687#, c-format 1688msgid "Run Orca in local : %s" 1689msgstr "" 1690 1691#: ../src/Common/Run.c:3545 1692#, c-format 1693msgid "Run FireFly in local : %s" 1694msgstr "" 1695 1696#: ../src/Common/Run.c:3649 1697#, c-format 1698msgid "Run Q-Chem in local : %s" 1699msgstr "" 1700 1701#: ../src/Common/Run.c:3753 1702#, c-format 1703msgid "Run Mopac in local : %s" 1704msgstr "" 1705 1706#: ../src/Common/Run.c:3856 1707#, c-format 1708msgid "Run gamess in local : %s" 1709msgstr "" 1710 1711#: ../src/Common/Run.c:3955 1712#, c-format 1713msgid "Run gaussian in local : %s" 1714msgstr "" 1715 1716#: ../src/Common/Run.c:4058 ../src/Common/Run.c:4194 ../src/Common/Run.c:4299 1717msgid "" 1718"\n" 1719"Please Wait\n" 1720msgstr "" 1721 1722#: ../src/Common/Run.c:4061 1723#, c-format 1724msgid "Run molcas in local : %s" 1725msgstr "" 1726 1727#: ../src/Common/Run.c:4196 1728#, c-format 1729msgid "Run molpro in local : %s" 1730msgstr "" 1731 1732#: ../src/Common/Run.c:4302 1733#, c-format 1734msgid "Run MPQC in local : %s" 1735msgstr "" 1736 1737#: ../src/Common/Run.c:4406 1738#, c-format 1739msgid "Run \"%s %s\" command in local host" 1740msgstr "" 1741 1742#: ../src/Common/Run.c:4959 ../src/Files/ListeFiles.c:780 1743msgid "Host name" 1744msgstr "" 1745 1746#: ../src/Common/Run.c:4960 ../src/Files/ListeFiles.c:781 1747#: ../src/Files/ListeFiles.c:953 ../src/Files/ListeFiles.c:1075 1748#: ../src/Files/ListeFiles.c:1223 ../src/Files/ListeFiles.c:1366 1749msgid "Login" 1750msgstr "" 1751 1752#: ../src/Common/Run.c:4961 ../src/Files/ListeFiles.c:782 1753msgid "Password" 1754msgstr "" 1755 1756#: ../src/Common/Run.c:4962 ../src/Files/ListeFiles.c:783 1757msgid "Working Directory" 1758msgstr "" 1759 1760#: ../src/Common/Run.c:4964 ../src/Files/ListeFiles.c:785 1761#: ../src/NetWork/Batch.c:553 ../src/NetWork/Process.c:367 1762msgid "Remote host" 1763msgstr "" 1764 1765#: ../src/Common/Run.c:5051 1766msgid "Run " 1767msgstr "" 1768 1769#: ../src/Common/SplashScreen.c:72 1770msgid "Load atom properties....." 1771msgstr "" 1772 1773#: ../src/Common/SplashScreen.c:78 1774msgid "I can not load atom properties from file, define default values....." 1775msgstr "" 1776 1777#: ../src/Common/SplashScreen.c:88 1778msgid "Load default commands from \"commands\" file....." 1779msgstr "" 1780 1781#: ../src/Common/SplashScreen.c:94 1782msgid "Load recent fonts styles....." 1783msgstr "" 1784 1785#: ../src/Common/SplashScreen.c:100 1786msgid "Load recent hosts list....." 1787msgstr "" 1788 1789#: ../src/Common/SplashScreen.c:106 1790msgid "Load recent surfaces colors....." 1791msgstr "" 1792 1793#: ../src/Common/SplashScreen.c:112 1794msgid "Load list of recent projects....." 1795msgstr "" 1796 1797#: ../src/Common/SplashScreen.c:117 1798msgid "Load Molecular mechanics parameters....." 1799msgstr "" 1800 1801#: ../src/Common/SplashScreen.c:123 1802msgid "Load Personal Fragments....." 1803msgstr "" 1804 1805#: ../src/Common/SplashScreen.c:126 1806msgid "Load the list of the bases supported by Molpro......" 1807msgstr "" 1808 1809#: ../src/Common/SplashScreen.c:129 1810msgid "Load the list of the bases supported by Molcas......" 1811msgstr "" 1812 1813#: ../src/Common/SplashScreen.c:132 1814msgid "Load the list of the bases supported by MPQC......" 1815msgstr "" 1816 1817#: ../src/Common/SplashScreen.c:288 1818msgid "Graphical" 1819msgstr "" 1820 1821#: ../src/Common/SplashScreen.c:371 1822msgid " Welcome to :" 1823msgstr "" 1824 1825#: ../src/Common/SplashScreen.c:419 1826msgid "Abdul-Rahman Allouche presents : " 1827msgstr "" 1828 1829#: ../src/Common/SplashScreen.c:518 1830msgid "The Graphical User Interface for computational chemistry packages" 1831msgstr "" 1832 1833#: ../src/Common/Status.c:101 1834msgid " Cancel " 1835msgstr "" 1836 1837#: ../src/Common/TextEdit.c:83 ../src/Common/TextEdit.c:108 1838#: ../src/Common/TextEdit.c:133 1839#, c-format 1840msgid " %d strings found and marked in red" 1841msgstr "" 1842 1843#: ../src/Common/TextEdit.c:84 ../src/Common/TextEdit.c:109 1844#: ../src/Common/TextEdit.c:134 1845msgid " no strings found" 1846msgstr "" 1847 1848#: ../src/Common/TextEdit.c:189 1849msgid "FIND" 1850msgstr "" 1851 1852#: ../src/Common/TextEdit.c:199 1853msgid " String to find :" 1854msgstr "" 1855 1856#: ../src/Common/TextEdit.c:215 1857msgid "All" 1858msgstr "" 1859 1860#: ../src/Common/TextEdit.c:220 1861msgid "Forward" 1862msgstr "" 1863 1864#: ../src/Common/TextEdit.c:225 1865msgid "Backward" 1866msgstr "" 1867 1868#: ../src/Common/TextEdit.c:241 1869msgid " Find " 1870msgstr "" 1871 1872#: ../src/Common/TextEdit.c:295 ../src/Common/TextEdit.c:315 1873#: ../src/Common/TextEdit.c:358 1874msgid "Data" 1875msgstr "" 1876 1877#: ../src/Common/TextEdit.c:364 ../src/OpenGL/IntegralOrbitals.c:893 1878#: ../src/OpenGL/IntegralOrbitals.c:1693 ../src/OpenGL/IntegralOrbitals.c:2157 1879msgid "Result" 1880msgstr "" 1881 1882#: ../src/Common/Windows.c:35 1883msgid "Windows" 1884msgstr "" 1885 1886#: ../src/Files/FileChooser.c:48 ../src/Files/FileChooser.c:343 1887msgid "Open file" 1888msgstr "" 1889 1890#: ../src/Files/FileChooser.c:49 ../src/Files/FileChooser.c:432 1891msgid "Save file" 1892msgstr "" 1893 1894#: ../src/Files/FileChooser.c:305 1895msgid "Open file " 1896msgstr "" 1897 1898#: ../src/Files/FileChooser.c:306 1899msgid "Save file " 1900msgstr "" 1901 1902#: ../src/Files/FileChooser.c:310 ../src/Files/FileChooser.c:372 1903msgid " Open file " 1904msgstr "" 1905 1906#: ../src/Files/FileChooser.c:380 1907msgid "Include file" 1908msgstr "" 1909 1910#: ../src/Files/FileChooser.c:395 1911msgid " Include file " 1912msgstr "" 1913 1914#: ../src/Files/FileChooser.c:476 1915#, c-format 1916msgid "\"%s\" has been modified. Do you want to save it ?" 1917msgstr "" 1918 1919#: ../src/Files/FileChooser.c:490 ../src/Gaussian/GInterfaceBasis.c:77 1920#: ../src/Gaussian/GInterfaceBasis.c:85 ../src/Gaussian/GInterfaceBasis.c:122 1921#: ../src/Gaussian/GInterfaceBasis.c:149 ../src/Gaussian/GInterfaceBasis.c:161 1922#: ../src/Gaussian/GInterfaceMethodeBase.c:62 1923#: ../src/Gaussian/GInterfaceMethodeBase.c:89 1924#: ../src/Gaussian/GInterfaceMethodeBase.c:102 1925#: ../src/Gaussian/GInterfaceMethodeBase.c:445 1926#: ../src/Gaussian/GInterfaceMethodeBase.c:450 1927#: ../src/Gaussian/GInterfaceMethodeBase.c:455 1928#: ../src/Gaussian/GInterfaceRoute.c:687 ../src/Gaussian/GInterfaceRoute.c:691 1929#: ../src/Gaussian/GInterfaceRoute.c:927 ../src/Gaussian/GInterfaceRoute.c:934 1930#: ../src/Gaussian/Gaussian.c:409 ../src/Gaussian/Gaussian.c:415 1931#: ../src/Gaussian/Gaussian.c:477 ../src/Gaussian/Gaussian.c:480 1932#: ../src/Gaussian/Gaussian.c:483 ../src/Gaussian/Gaussian.c:620 1933#: ../src/Gaussian/Gaussian.c:623 ../src/Geometry/GeomXYZ.c:2115 1934#: ../src/Geometry/GeomXYZ.c:2171 ../src/Geometry/GeomXYZ.c:2990 1935#: ../src/Utils/UtilsInterface.c:551 ../src/Utils/UtilsInterface.c:552 1936#: ../src/Utils/UtilsInterface.c:779 ../src/Utils/UtilsInterface.c:2288 1937msgid "No" 1938msgstr "" 1939 1940#: ../src/Files/FileChooser.c:525 1941msgid "File selection" 1942msgstr "" 1943 1944#: ../src/Files/FileChooser.c:529 1945msgid " File selction " 1946msgstr "" 1947 1948#: ../src/Files/FolderChooser.c:39 1949msgid "Select a folder" 1950msgstr "" 1951 1952#: ../src/Files/FolderChooser.c:47 1953msgid "Dir selector" 1954msgstr "" 1955 1956#: ../src/Files/FolderChooser.c:51 1957msgid " Dir selector " 1958msgstr "" 1959 1960#: ../src/Files/ListeFiles.c:492 1961msgid "Properties of project" 1962msgstr "" 1963 1964#: ../src/Files/ListeFiles.c:514 ../src/Files/ListeFiles.c:573 1965msgid " Prop. of project " 1966msgstr "" 1967 1968#: ../src/Files/ListeFiles.c:547 1969msgid "Set properties of project" 1970msgstr "" 1971 1972#: ../src/Files/ListeFiles.c:595 1973msgid "Server" 1974msgstr "" 1975 1976#: ../src/Files/ListeFiles.c:607 ../src/Files/ListeFiles.c:628 1977#: ../src/Files/ListeFiles.c:1082 ../src/Files/ListeFiles.c:1369 1978msgid "Local" 1979msgstr "" 1980 1981#: ../src/Files/ListeFiles.c:637 1982msgid "Local Directory " 1983msgstr "" 1984 1985#: ../src/Files/ListeFiles.c:650 1986msgid "Files " 1987msgstr "" 1988 1989#: ../src/Files/ListeFiles.c:652 1990msgid "File " 1991msgstr "" 1992 1993#: ../src/Files/ListeFiles.c:719 1994msgid "NetWork protocols" 1995msgstr "" 1996 1997#: ../src/Files/ListeFiles.c:952 ../src/Files/ListeFiles.c:1074 1998#: ../src/Files/ListeFiles.c:1222 ../src/Files/ListeFiles.c:1365 1999msgid "Host" 2000msgstr "" 2001 2002#: ../src/Files/ListeFiles.c:954 ../src/Files/ListeFiles.c:1076 2003#: ../src/Files/ListeFiles.c:1224 ../src/Files/ListeFiles.c:1367 2004msgid "Directory" 2005msgstr "" 2006 2007#: ../src/Files/ListeFiles.c:958 ../src/Files/ListeFiles.c:1078 2008msgid "Files" 2009msgstr "" 2010 2011#: ../src/Files/ListeFiles.c:960 ../src/Files/ListeFiles.c:1080 2012msgid "File" 2013msgstr "" 2014 2015#: ../src/Files/ListeFiles.c:962 ../src/Files/ListeFiles.c:1226 2016#: ../src/Geometry/ResultsAnalise.c:2637 2017msgid "Remote" 2018msgstr "" 2019 2020#: ../src/Files/ListeFiles.c:984 2021#, c-format 2022msgid "%s [Using rsh/ftp Protocol]" 2023msgstr "" 2024 2025#: ../src/Files/ListeFiles.c:985 2026#, c-format 2027msgid "%s [Using ssh Protocol]" 2028msgstr "" 2029 2030#: ../src/Files/ListeFiles.c:1433 2031msgid " Location " 2032msgstr "" 2033 2034#: ../src/Files/ListeFiles.c:1435 2035msgid " Output " 2036msgstr "" 2037 2038#: ../src/Files/ListeFiles.c:1441 ../src/OpenGL/AnimationMD.c:1255 2039msgid " Error " 2040msgstr "" 2041 2042#: ../src/Files/ListeFiles.c:1669 2043#, c-format 2044msgid "" 2045"\n" 2046"Sorry, I can not open file :\n" 2047" %s\n" 2048msgstr "" 2049 2050#: ../src/Files/ListeFiles.c:1733 ../src/Utils/UtilsInterface.c:2310 2051#: ../src/Utils/UtilsInterface.c:2329 ../src/Utils/UtilsInterface.c:2349 2052#: ../src/Utils/UtilsInterface.c:2368 ../src/Utils/UtilsInterface.c:2387 2053#: ../src/Utils/UtilsInterface.c:2406 ../src/Utils/UtilsInterface.c:2425 2054#: ../src/Utils/UtilsInterface.c:2444 ../src/Utils/UtilsInterface.c:2463 2055#: ../src/Utils/UtilsInterface.c:2482 ../src/Utils/UtilsInterface.c:2501 2056#, c-format 2057msgid "" 2058"\n" 2059"The \"%s\" file has been modified.\n" 2060"\n" 2061msgstr "" 2062 2063#: ../src/Files/ListeFiles.c:1734 ../src/Utils/UtilsInterface.c:2311 2064#: ../src/Utils/UtilsInterface.c:2331 ../src/Utils/UtilsInterface.c:2350 2065#: ../src/Utils/UtilsInterface.c:2369 ../src/Utils/UtilsInterface.c:2388 2066#: ../src/Utils/UtilsInterface.c:2407 ../src/Utils/UtilsInterface.c:2426 2067#: ../src/Utils/UtilsInterface.c:2445 ../src/Utils/UtilsInterface.c:2464 2068#: ../src/Utils/UtilsInterface.c:2483 ../src/Utils/UtilsInterface.c:2502 2069#, c-format 2070msgid "" 2071" %sIf you continue, you lose what you have changed.\n" 2072"\n" 2073msgstr "" 2074 2075#: ../src/Files/ListeFiles.c:1735 ../src/Utils/UtilsInterface.c:2312 2076#: ../src/Utils/UtilsInterface.c:2333 ../src/Utils/UtilsInterface.c:2351 2077#: ../src/Utils/UtilsInterface.c:2370 ../src/Utils/UtilsInterface.c:2389 2078#: ../src/Utils/UtilsInterface.c:2408 ../src/Utils/UtilsInterface.c:2427 2079#: ../src/Utils/UtilsInterface.c:2446 ../src/Utils/UtilsInterface.c:2465 2080#: ../src/Utils/UtilsInterface.c:2484 ../src/Utils/UtilsInterface.c:2503 2081#, c-format 2082msgid " %sYou want to continue?\n" 2083msgstr "" 2084 2085#: ../src/Files/ListeFiles.c:2424 2086msgid " Unselect all" 2087msgstr "" 2088 2089#: ../src/Files/ListeFiles.c:2430 2090msgid "Select all " 2091msgstr "" 2092 2093#: ../src/Files/ListeFiles.c:2526 2094msgid "Recent Projects" 2095msgstr "" 2096 2097#: ../src/FireFly/FireFly.c:178 ../src/Gamess/Gamess.c:161 2098#: ../src/Gaussian/Gaussian.c:1164 ../src/MPQC/MPQC.c:172 2099#: ../src/Molcas/Molcas.c:169 ../src/Mopac/Mopac.c:155 ../src/Orca/Orca.c:154 2100#: ../src/QChem/QChem.c:160 2101msgid "" 2102"You must initially define your geometry.\n" 2103"\n" 2104"From the principal Menu select : Geometry/Draw\n" 2105"and draw (or read) your molecule." 2106msgstr "" 2107 2108#: ../src/FireFly/FireFly.c:190 2109msgid "FireFly input" 2110msgstr "" 2111 2112#: ../src/FireFly/FireFly.c:193 2113msgid " FireFly input " 2114msgstr "" 2115 2116#: ../src/FireFly/FireFlyBasis.c:568 ../src/Gamess/GamessBasis.c:580 2117#: ../src/Gaussian/GInterfaceBasis.c:495 ../src/Gaussian/GInterfaceBasis.c:656 2118#: ../src/Gaussian/GInterfaceBasis.c:863 ../src/Gaussian/GInterfaceBasis.c:919 2119#: ../src/MPQC/MPQCBasis.c:157 ../src/MPQC/MPQCBasis.c:175 2120#: ../src/Molpro/MInterfaceBasis.c:1141 ../src/Molpro/MInterfaceBasis.c:1142 2121#: ../src/Orca/OrcaBasis.c:1154 ../src/QChem/QChemBasis.c:190 2122#: ../src/QChem/QChemBasis.c:209 2123msgid "Basis" 2124msgstr "" 2125 2126#: ../src/FireFly/FireFlyBasis.c:582 ../src/Gamess/GamessBasis.c:594 2127msgid "Basis set" 2128msgstr "" 2129 2130#: ../src/FireFly/FireFlyBasis.c:594 ../src/Gamess/GamessBasis.c:606 2131#: ../src/Mopac/MopacMolecule.c:980 ../src/Orca/OrcaBasis.c:1137 2132#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:1921 2133msgid "Type" 2134msgstr "" 2135 2136#: ../src/FireFly/FireFlyBasis.c:615 ../src/Gamess/GamessBasis.c:627 2137msgid "#D heavy atom polarization functions" 2138msgstr "" 2139 2140#: ../src/FireFly/FireFlyBasis.c:627 ../src/Gamess/GamessBasis.c:639 2141msgid "#F heavy atom polarization functions" 2142msgstr "" 2143 2144#: ../src/FireFly/FireFlyBasis.c:639 ../src/Gamess/GamessBasis.c:651 2145msgid "#light atom polarization functions" 2146msgstr "" 2147 2148#: ../src/FireFly/FireFlyBasis.c:651 ../src/Gamess/GamessBasis.c:663 2149msgid "Polar" 2150msgstr "" 2151 2152#: ../src/FireFly/FireFlyBasis.c:663 ../src/Gamess/GamessBasis.c:675 2153msgid "Diffuse L-shell on heavy atoms" 2154msgstr "" 2155 2156#: ../src/FireFly/FireFlyBasis.c:672 ../src/Gamess/GamessBasis.c:684 2157msgid "Diffuse s-shell on hydrogens " 2158msgstr "" 2159 2160#: ../src/FireFly/FireFlyControl.c:208 ../src/Gamess/GamessControl.c:182 2161msgid "" 2162"----> Put here the $HESS card.\n" 2163" You can obtain it from your old frequecncies calculation(.pun or .irc " 2164"file)\n" 2165msgstr "" 2166 2167#: ../src/FireFly/FireFlyControl.c:860 ../src/Gamess/GamessControl.c:785 2168msgid "Control" 2169msgstr "" 2170 2171#: ../src/FireFly/FireFlyControl.c:873 ../src/Gamess/GamessControl.c:798 2172msgid "Run Type" 2173msgstr "" 2174 2175#: ../src/FireFly/FireFlyControl.c:885 ../src/Gamess/GamessControl.c:810 2176#: ../src/Orca/OrcaKeywords.c:1117 ../src/QChem/QChemRem.c:646 2177msgid "SCF Type" 2178msgstr "" 2179 2180#: ../src/FireFly/FireFlyControl.c:898 ../src/Gamess/GamessControl.c:823 2181#: ../src/QChem/QChemRem.c:659 2182msgid "Max # SCF iterations" 2183msgstr "" 2184 2185#: ../src/FireFly/FireFlyControl.c:912 ../src/Gamess/GamessControl.c:837 2186msgid "Correlation Type" 2187msgstr "" 2188 2189#: ../src/FireFly/FireFlyControl.c:925 ../src/Gamess/GamessControl.c:850 2190#: ../src/QChem/QChemRem.c:686 2191msgid "Correlation Method" 2192msgstr "" 2193 2194#: ../src/FireFly/FireFlyControl.c:939 ../src/Gamess/GamessControl.c:864 2195msgid "Localized Type" 2196msgstr "" 2197 2198#: ../src/FireFly/FireFlyControl.c:960 2199msgid "Exited States" 2200msgstr "" 2201 2202#: ../src/FireFly/FireFlyControl.c:964 2203msgid "TDHF/TDDFT" 2204msgstr "" 2205 2206#: ../src/FireFly/FireFlyControl.c:981 ../src/Gamess/GamessControl.c:885 2207msgid "EXE Type" 2208msgstr "" 2209 2210#: ../src/FireFly/FireFlyGuess.c:159 ../src/Gamess/GamessGuess.c:159 2211#: ../src/Orca/OrcaGuess.c:151 ../src/QChem/QChemGuess.c:181 2212msgid "Mo Guess" 2213msgstr "" 2214 2215#: ../src/FireFly/FireFlyGuess.c:173 ../src/Gamess/GamessGuess.c:173 2216#: ../src/Orca/OrcaGuess.c:165 ../src/QChem/QChemGuess.c:195 2217msgid "Initial Guess" 2218msgstr "" 2219 2220#: ../src/FireFly/FireFlyGuess.c:193 ../src/Gamess/GamessGuess.c:193 2221msgid "Print the initial Guess" 2222msgstr "" 2223 2224#: ../src/FireFly/FireFlyGuess.c:202 ../src/Gamess/GamessGuess.c:202 2225msgid "Rotate alpha and beta orbitals" 2226msgstr "" 2227 2228#: ../src/FireFly/FireFlyMolecule.c:1034 ../src/Gamess/GamessMolecule.c:978 2229#: ../src/MPQC/MPQCMolecule.c:480 2230msgid "Detected by Gabedit" 2231msgstr "" 2232 2233#: ../src/FireFly/FireFlyMolecule.c:1043 ../src/Gamess/GamessMolecule.c:987 2234#: ../src/MPQC/MPQCMolecule.c:488 2235msgid "Tolerance" 2236msgstr "" 2237 2238#: ../src/FireFly/FireFlyMolecule.c:1050 ../src/Gamess/GamessMolecule.c:994 2239#: ../src/MPQC/MPQCMolecule.c:495 2240msgid "Fixed Symmetry" 2241msgstr "" 2242 2243#: ../src/FireFly/FireFlyMolecule.c:1070 ../src/Gamess/GamessMolecule.c:1014 2244msgid "Symmetry not used during calculation" 2245msgstr "" 2246 2247#: ../src/FireFly/FireFlyMolecule.c:1237 ../src/FireFly/FireFlyMolecule.c:1362 2248#: ../src/Gamess/GamessMolecule.c:1177 ../src/Gamess/GamessMolecule.c:1302 2249#: ../src/MPQC/MPQCGuessWaveFunction.c:311 ../src/MPQC/MPQCMole.c:401 2250#: ../src/Mopac/MopacMolecule.c:713 ../src/QChem/QChemMolecule.c:534 2251#: ../src/QChem/QChemMolecule.c:659 2252#, c-format 2253msgid "Number of electrons = %d" 2254msgstr "" 2255 2256#: ../src/FireFly/FireFlyMolecule.c:1268 ../src/Gamess/GamessMolecule.c:1208 2257#: ../src/IsotopeDistribution/IsotopeDistributionCalculatorDlg.c:673 2258#: ../src/OpenGL/AnimationGeomConv.c:219 ../src/OpenGL/AnimationMD.c:220 2259#: ../src/OpenGL/Vibration.c:223 ../src/Orca/OrcaMolecule.c:636 2260#: ../src/QChem/QChemMolecule.c:565 2261#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:1598 2262msgid "Charge" 2263msgstr "" 2264 2265#: ../src/FireFly/FireFlyMolecule.c:1284 ../src/Gamess/GamessMolecule.c:1224 2266#: ../src/MPQC/MPQCGuessWaveFunction.c:363 ../src/MPQC/MPQCMole.c:545 2267#: ../src/Mopac/MopacMolecule.c:635 ../src/OpenGL/AnimationGeomConv.c:235 2268#: ../src/OpenGL/AnimationMD.c:236 ../src/OpenGL/Vibration.c:239 2269#: ../src/Orca/OrcaMolecule.c:652 ../src/QChem/QChemMolecule.c:581 2270#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:1615 2271msgid "Spin multiplicity" 2272msgstr "" 2273 2274#: ../src/FireFly/FireFlyMolecule.c:1329 ../src/Gamess/GamessMolecule.c:1269 2275#: ../src/Mopac/MopacMolecule.c:680 ../src/Orca/OrcaMolecule.c:697 2276#: ../src/QChem/QChemMolecule.c:626 2277msgid "Charge & Multiplicty" 2278msgstr "" 2279 2280#: ../src/FireFly/FireFlySCF.c:89 ../src/Gamess/GamessSCF.c:89 2281msgid "SCF options" 2282msgstr "" 2283 2284#: ../src/FireFly/FireFlySCF.c:103 ../src/Gamess/GamessSCF.c:103 2285msgid "Direct SCF" 2286msgstr "" 2287 2288#: ../src/FireFly/FireFlySCF.c:112 ../src/Gamess/GamessSCF.c:112 2289msgid "Compute only change in Fock matrix" 2290msgstr "" 2291 2292#: ../src/FireFly/FireFlySCF.c:121 ../src/Gamess/GamessSCF.c:121 2293msgid "Generate UHF Natural Orbitals" 2294msgstr "" 2295 2296#: ../src/Gamess/Gamess.c:173 2297msgid "Gamess input" 2298msgstr "" 2299 2300#: ../src/Gamess/Gamess.c:176 2301msgid " Gamess input " 2302msgstr "" 2303 2304#: ../src/Gaussian/GInterfaceBasis.c:108 2305#: ../src/Gaussian/GInterfaceMethodeBase.c:48 2306#, c-format 2307msgid "" 2308"%s%sThis basis is present for %s atoms\n" 2309"%s" 2310msgstr "" 2311 2312#: ../src/Gaussian/GInterfaceBasis.c:143 2313#: ../src/Gaussian/GInterfaceMethodeBase.c:83 2314msgid " Polarization function :" 2315msgstr "" 2316 2317#: ../src/Gaussian/GInterfaceBasis.c:153 ../src/Gaussian/GInterfaceBasis.c:164 2318#: ../src/Gaussian/GInterfaceMethodeBase.c:93 2319#: ../src/Gaussian/GInterfaceMethodeBase.c:105 2320msgid " Diffuse function :" 2321msgstr "" 2322 2323#: ../src/Gaussian/GInterfaceBasis.c:181 ../src/Gaussian/GInterfaceBasis.c:241 2324msgid "None(for DUMMY Center)" 2325msgstr "" 2326 2327#: ../src/Gaussian/GInterfaceBasis.c:393 2328#: ../src/Gaussian/GInterfaceMethodeBase.c:121 2329#: ../src/Gaussian/GInterfaceMethodeBase.c:179 ../src/Gaussian/Gaussian.c:151 2330#: ../src/Gaussian/Gaussian.c:157 ../src/Gaussian/Gaussian.c:179 2331#: ../src/Gaussian/Gaussian.c:185 ../src/Gaussian/Gaussian.c:209 2332#: ../src/Gaussian/Gaussian.c:215 2333msgid "None" 2334msgstr "" 2335 2336#: ../src/Gaussian/GInterfaceBasis.c:489 2337msgid "Please Select your center\n" 2338msgstr "" 2339 2340#: ../src/Gaussian/GInterfaceBasis.c:496 ../src/Gaussian/GInterfaceBasis.c:658 2341#: ../src/Gaussian/GInterfaceRoute.c:1107 ../src/OpenGL/LabelsGL.c:730 2342msgid "Title" 2343msgstr "" 2344 2345#: ../src/Gaussian/GInterfaceBasis.c:650 ../src/Geometry/GeomXYZ.c:2813 2346#: ../src/Geometry/GeomZmatrix.c:3696 2347msgid "Please Select your center \n" 2348msgstr "" 2349 2350#: ../src/Gaussian/GInterfaceBasis.c:763 ../src/Gaussian/GInterfaceBasis.c:847 2351msgid "Edit Basis" 2352msgstr "" 2353 2354#: ../src/Gaussian/GInterfaceBasis.c:873 2355msgid " Define basis by type of center " 2356msgstr "" 2357 2358#: ../src/Gaussian/GInterfaceBasis.c:886 2359msgid " Define basis center by center (not recommended) " 2360msgstr "" 2361 2362#: ../src/Gaussian/GInterfaceBasis.c:918 2363msgid "Basis Generated" 2364msgstr "" 2365 2366#: ../src/Gaussian/GInterfaceGeom.c:184 ../src/Gaussian/GInterfaceGeom.c:185 2367#: ../src/Gaussian/GInterfaceRoute.c:245 2368msgid "Molecular Specifications" 2369msgstr "" 2370 2371#: ../src/Gaussian/GInterfaceGeom.c:201 2372msgid "Charge of " 2373msgstr "" 2374 2375#: ../src/Gaussian/GInterfaceGeom.c:202 ../src/Gaussian/GInterfaceGeom.c:204 2376#: ../src/Gaussian/GInterfaceRoute.c:262 ../src/Gaussian/GInterfaceRoute.c:264 2377msgid "Real system : " 2378msgstr "" 2379 2380#: ../src/Gaussian/GInterfaceGeom.c:203 ../src/Gaussian/GInterfaceGeom.c:211 2381#: ../src/Gaussian/GInterfaceRoute.c:263 ../src/Gaussian/GInterfaceRoute.c:271 2382msgid "2*Spin+1 of " 2383msgstr "" 2384 2385#: ../src/Gaussian/GInterfaceGeom.c:209 ../src/Gaussian/GInterfaceRoute.c:261 2386#: ../src/Gaussian/GInterfaceRoute.c:269 2387msgid "Charge of " 2388msgstr "" 2389 2390#: ../src/Gaussian/GInterfaceGeom.c:210 ../src/Gaussian/GInterfaceGeom.c:212 2391#: ../src/Gaussian/GInterfaceRoute.c:270 ../src/Gaussian/GInterfaceRoute.c:272 2392msgid "system : " 2393msgstr "" 2394 2395#: ../src/Gaussian/GInterfaceGeom.c:217 ../src/Gaussian/GInterfaceGeom.c:218 2396#: ../src/Gaussian/GInterfaceRoute.c:277 ../src/Gaussian/GInterfaceRoute.c:278 2397msgid "Intermediate system : " 2398msgstr "" 2399 2400#: ../src/Gaussian/GInterfaceGeom.c:220 ../src/Gaussian/GInterfaceGeom.c:221 2401#: ../src/Gaussian/GInterfaceGeom.c:227 ../src/Gaussian/GInterfaceGeom.c:228 2402#: ../src/Gaussian/GInterfaceRoute.c:280 ../src/Gaussian/GInterfaceRoute.c:281 2403#: ../src/Gaussian/GInterfaceRoute.c:287 ../src/Gaussian/GInterfaceRoute.c:288 2404msgid "Model system : " 2405msgstr "" 2406 2407#: ../src/Gaussian/GInterfaceGeom.c:236 ../src/Gaussian/GInterfaceRoute.c:1070 2408#: ../src/Geometry/InterfaceGeom.c:564 ../src/Molpro/MInterfaceGeom.c:137 2409msgid "TYPE" 2410msgstr "" 2411 2412#: ../src/Gaussian/GInterfaceGeom.c:240 ../src/Geometry/InterfaceGeom.c:568 2413#: ../src/Molpro/MInterfaceGeom.c:142 2414msgid "GEOMETRY" 2415msgstr "" 2416 2417#: ../src/Gaussian/GInterfaceLink.c:116 ../src/Gaussian/GInterfaceLink.c:149 2418msgid "The checkpoint file" 2419msgstr "" 2420 2421#: ../src/Gaussian/GInterfaceLink.c:132 ../src/Molpro/MInterfaceComm.c:806 2422#: ../src/Molpro/MInterfaceComm.c:845 ../src/Molpro/MInterfaceComm.c:877 2423#, c-format 2424msgid "Sorry, the button of \"%s\" is not active" 2425msgstr "" 2426 2427#: ../src/Gaussian/GInterfaceLink.c:140 2428msgid "Dynamic memory" 2429msgstr "" 2430 2431#: ../src/Gaussian/GInterfaceLink.c:141 2432msgid "Memory size : " 2433msgstr "" 2434 2435#: ../src/Gaussian/GInterfaceLink.c:143 2436msgid "Read-Write file" 2437msgstr "" 2438 2439#: ../src/Gaussian/GInterfaceLink.c:144 ../src/Gaussian/GInterfaceLink.c:147 2440#: ../src/Gaussian/GInterfaceLink.c:150 ../src/Gaussian/GInterfaceLink.c:153 2441msgid "File Name : " 2442msgstr "" 2443 2444#: ../src/Gaussian/GInterfaceLink.c:146 2445msgid "2E derivative file" 2446msgstr "" 2447 2448#: ../src/Gaussian/GInterfaceLink.c:152 ../src/Gaussian/GInterfaceLink.c:176 2449msgid "2E integral file" 2450msgstr "" 2451 2452#: ../src/Gaussian/GInterfaceMethodeBase.c:121 2453#: ../src/Molpro/MInterfaceBasis.c:911 2454msgid "Please select your basis" 2455msgstr "" 2456 2457#: ../src/Gaussian/GInterfaceMethodeBase.c:258 2458#: ../src/Gaussian/GInterfaceMethodeBase.c:275 2459#: ../src/Gaussian/GInterfaceMethodeBase.c:307 2460#: ../src/Gaussian/GInterfaceMethodeBase.c:337 2461#: ../src/Gaussian/GInterfaceMethodeBase.c:350 2462#: ../src/Gaussian/GInterfaceMethodeBase.c:369 2463#: ../src/Gaussian/GInterfaceMethodeBase.c:408 2464msgid " Select your method :" 2465msgstr "" 2466 2467#: ../src/Gaussian/GInterfaceMethodeBase.c:280 2468#: ../src/Gaussian/GInterfaceMethodeBase.c:312 2469msgid " correlation :" 2470msgstr "" 2471 2472#: ../src/Gaussian/GInterfaceMethodeBase.c:286 2473msgid " Convergence :" 2474msgstr "" 2475 2476#: ../src/Gaussian/GInterfaceMethodeBase.c:292 2477msgid " Number of cycles :" 2478msgstr "" 2479 2480#: ../src/Gaussian/GInterfaceMethodeBase.c:314 2481#: ../src/Gaussian/GInterfaceMethodeBase.c:416 2482#: ../src/Gaussian/GInterfaceMethodeBase.c:422 2483#: ../src/Gaussian/GInterfaceRoute.c:325 ../src/Gaussian/GInterfaceRoute.c:332 2484#: ../src/Gaussian/GInterfaceRoute.c:379 ../src/Gaussian/GInterfaceRoute.c:386 2485#: ../src/Gaussian/GInterfaceRoute.c:423 ../src/Gaussian/GInterfaceRoute.c:430 2486#: ../src/Gaussian/GInterfaceRoute.c:442 ../src/Gaussian/GInterfaceRoute.c:454 2487#: ../src/Gaussian/GInterfaceRoute.c:466 ../src/Gaussian/GInterfaceRoute.c:520 2488#: ../src/Gaussian/GInterfaceRoute.c:531 ../src/Gaussian/GInterfaceRoute.c:537 2489#: ../src/Gaussian/GInterfaceRoute.c:543 ../src/Gaussian/GInterfaceRoute.c:550 2490#: ../src/Gaussian/GInterfaceRoute.c:625 ../src/Gaussian/GInterfaceRoute.c:637 2491#: ../src/Gaussian/GInterfaceRoute.c:696 ../src/Gaussian/GInterfaceRoute.c:703 2492#: ../src/Gaussian/GInterfaceRoute.c:898 ../src/Gaussian/GInterfaceRoute.c:905 2493#: ../src/Gaussian/GInterfaceRoute.c:912 ../src/Gaussian/GInterfaceRoute.c:920 2494#: ../src/Gaussian/Gaussian.c:450 ../src/Gaussian/Gaussian.c:461 2495#: ../src/Gaussian/Gaussian.c:464 ../src/Gaussian/Gaussian.c:486 2496#: ../src/Gaussian/Gaussian.c:607 ../src/Gaussian/Gaussian.c:611 2497#: ../src/Gaussian/Gaussian.c:614 ../src/Gaussian/Gaussian.c:617 2498#: ../src/Molpro/MInterfaceGeom.c:95 ../src/Molpro/Molpro.c:364 2499#: ../src/Molpro/Molpro.c:460 2500msgid "default" 2501msgstr "" 2502 2503#: ../src/Gaussian/GInterfaceMethodeBase.c:320 2504msgid " Options :" 2505msgstr "" 2506 2507#: ../src/Gaussian/GInterfaceMethodeBase.c:385 2508msgid " Exchange Functional :" 2509msgstr "" 2510 2511#: ../src/Gaussian/GInterfaceMethodeBase.c:395 2512msgid " Correlation Functionals :" 2513msgstr "" 2514 2515#: ../src/Gaussian/GInterfaceMethodeBase.c:414 2516msgid " Type :" 2517msgstr "" 2518 2519#: ../src/Gaussian/GInterfaceMethodeBase.c:420 2520msgid " NStates :" 2521msgstr "" 2522 2523#: ../src/Gaussian/GInterfaceMethodeBase.c:427 2524msgid " Root :" 2525msgstr "" 2526 2527#: ../src/Gaussian/GInterfaceMethodeBase.c:438 2528msgid " Number of electrons :" 2529msgstr "" 2530 2531#: ../src/Gaussian/GInterfaceMethodeBase.c:442 2532msgid " Number of active orbitals :" 2533msgstr "" 2534 2535#: ../src/Gaussian/GInterfaceMethodeBase.c:447 2536msgid " With MP2 correction ? :" 2537msgstr "" 2538 2539#: ../src/Gaussian/GInterfaceMethodeBase.c:452 2540msgid " With Spin Orbit correction ? :" 2541msgstr "" 2542 2543#: ../src/Gaussian/GInterfaceMethodeBase.c:457 2544msgid " Conical intersections ? :" 2545msgstr "" 2546 2547#: ../src/Gaussian/GInterfaceMethodeBase.c:465 2548msgid " Number of states :" 2549msgstr "" 2550 2551#: ../src/Gaussian/GInterfaceMethodeBase.c:481 2552#: ../src/Gaussian/GInterfaceMethodeBase.c:523 2553#: ../src/Geometry/BuildPolyPeptide.c:657 2554#: ../src/Geometry/BuildPolyPeptide.c:727 ../src/MPQC/MPQCFunctionals.c:43 2555#: ../src/Molcas/MolcasGateWay.c:1390 ../src/Molcas/MolcasGateWay.c:1466 2556#: ../src/OpenGL/AtomicOrbitals.c:247 ../src/OpenGL/AtomicOrbitals.c:582 2557#: ../src/OpenGL/GeomOrbXYZ.c:119 ../src/OpenGL/GeomOrbXYZ.c:120 2558#: ../src/OpenGL/GeomOrbXYZ.c:121 ../src/OpenGL/GeomOrbXYZ.c:280 2559#: ../src/OpenGL/GeomOrbXYZ.c:301 ../src/OpenGL/GeomOrbXYZ.c:395 2560#: ../src/OpenGL/GeomOrbXYZ.c:788 ../src/OpenGL/GeomOrbXYZ.c:976 2561#: ../src/OpenGL/GeomOrbXYZ.c:1211 ../src/OpenGL/GeomOrbXYZ.c:1305 2562#: ../src/OpenGL/GeomOrbXYZ.c:1306 ../src/OpenGL/GeomOrbXYZ.c:1307 2563#: ../src/OpenGL/GeomOrbXYZ.c:1425 ../src/OpenGL/GeomOrbXYZ.c:1426 2564#: ../src/OpenGL/GeomOrbXYZ.c:1427 ../src/OpenGL/GeomOrbXYZ.c:1766 2565#: ../src/OpenGL/GeomOrbXYZ.c:1767 ../src/OpenGL/GeomOrbXYZ.c:1768 2566#: ../src/OpenGL/GeomOrbXYZ.c:2100 ../src/OpenGL/GeomOrbXYZ.c:2101 2567#: ../src/OpenGL/GeomOrbXYZ.c:2102 ../src/OpenGL/GeomOrbXYZ.c:2229 2568#: ../src/OpenGL/GeomOrbXYZ.c:2230 ../src/OpenGL/GeomOrbXYZ.c:2231 2569#: ../src/OpenGL/GeomOrbXYZ.c:2357 ../src/OpenGL/GeomOrbXYZ.c:2358 2570#: ../src/OpenGL/GeomOrbXYZ.c:2359 ../src/OpenGL/GeomOrbXYZ.c:2728 2571#: ../src/OpenGL/GeomOrbXYZ.c:2729 ../src/OpenGL/GeomOrbXYZ.c:2730 2572#: ../src/OpenGL/GeomOrbXYZ.c:2876 ../src/OpenGL/GeomOrbXYZ.c:2877 2573#: ../src/OpenGL/GeomOrbXYZ.c:2878 ../src/OpenGL/GeomOrbXYZ.c:3067 2574#: ../src/OpenGL/GeomOrbXYZ.c:3068 ../src/OpenGL/GeomOrbXYZ.c:3069 2575#: ../src/OpenGL/GeomOrbXYZ.c:3242 ../src/OpenGL/GeomOrbXYZ.c:3243 2576#: ../src/OpenGL/GeomOrbXYZ.c:3244 ../src/OpenGL/Grid.c:650 2577#: ../src/OpenGL/Grid.c:672 ../src/OpenGL/Grid.c:693 ../src/OpenGL/Grid.c:709 2578#: ../src/OpenGL/Grid.c:725 ../src/OpenGL/Grid.c:747 2579#: ../src/OpenGL/GridAdfDensity.c:251 ../src/OpenGL/GridAdfDensity.c:745 2580#: ../src/OpenGL/GridAdfOrbitals.c:259 ../src/OpenGL/GridAdfOrbitals.c:909 2581#: ../src/OpenGL/GridCube.c:1136 ../src/OpenGL/GridCube.c:1328 2582#: ../src/OpenGL/GridCube.c:1329 ../src/OpenGL/GridCube.c:1337 2583#: ../src/OpenGL/GridCube.c:1338 ../src/OpenGL/GridCube.c:1346 2584#: ../src/OpenGL/GridCube.c:1347 ../src/OpenGL/GridCube.c:1355 2585#: ../src/OpenGL/GridCube.c:1356 ../src/OpenGL/GridCube.c:1370 2586#: ../src/OpenGL/GridCube.c:1371 ../src/OpenGL/GridCube.c:1378 2587#: ../src/OpenGL/GridCube.c:1379 ../src/OpenGL/GridCube.c:1585 2588#: ../src/OpenGL/GridCube.c:1586 ../src/OpenGL/GridCube.c:1594 2589#: ../src/OpenGL/GridCube.c:1595 ../src/OpenGL/GridCube.c:1603 2590#: ../src/OpenGL/GridCube.c:1604 ../src/OpenGL/GridCube.c:1612 2591#: ../src/OpenGL/GridCube.c:1613 ../src/OpenGL/GridCube.c:1627 2592#: ../src/OpenGL/GridCube.c:1628 ../src/OpenGL/GridCube.c:1635 2593#: ../src/OpenGL/GridCube.c:1636 ../src/OpenGL/GridMolcas.c:306 2594#: ../src/OpenGL/GridMolcas.c:367 ../src/OpenGL/GridMolcas.c:918 2595#: ../src/OpenGL/GridMolcas.c:997 ../src/OpenGL/GridQChem.c:431 2596#: ../src/OpenGL/GridQChem.c:509 ../src/OpenGL/Orbitals.c:212 2597#: ../src/OpenGL/Orbitals.c:1923 ../src/OpenGL/Orbitals.c:1924 2598#: ../src/OpenGL/Orbitals.c:1925 ../src/OpenGL/Orbitals.c:1933 2599#: ../src/OpenGL/Orbitals.c:1934 ../src/OpenGL/Orbitals.c:1935 2600#: ../src/OpenGL/Orbitals.c:1979 ../src/OpenGL/Orbitals.c:1980 2601#: ../src/OpenGL/Orbitals.c:1981 ../src/OpenGL/Orbitals.c:2151 2602#: ../src/OpenGL/Orbitals.c:2152 ../src/OpenGL/Orbitals.c:2153 2603#: ../src/OpenGL/Orbitals.c:2161 ../src/OpenGL/Orbitals.c:2162 2604#: ../src/OpenGL/Orbitals.c:2163 ../src/OpenGL/Orbitals.c:2179 2605#: ../src/OpenGL/Orbitals.c:2180 ../src/OpenGL/Orbitals.c:2181 2606#: ../src/OpenGL/Orbitals.c:2213 ../src/OpenGL/Orbitals.c:2214 2607#: ../src/OpenGL/Orbitals.c:2215 ../src/OpenGL/Orbitals.c:2221 2608#: ../src/OpenGL/Orbitals.c:2222 ../src/OpenGL/Orbitals.c:2223 2609#: ../src/OpenGL/Orbitals.c:2278 ../src/OpenGL/Orbitals.c:2279 2610#: ../src/OpenGL/Orbitals.c:2280 ../src/OpenGL/Orbitals.c:2313 2611#: ../src/OpenGL/Orbitals.c:2314 ../src/OpenGL/Orbitals.c:2315 2612#: ../src/OpenGL/Orbitals.c:2322 ../src/OpenGL/Orbitals.c:2323 2613#: ../src/OpenGL/Orbitals.c:2324 ../src/OpenGL/Orbitals.c:2399 2614#: ../src/OpenGL/Orbitals.c:2400 ../src/OpenGL/Orbitals.c:2401 2615#: ../src/OpenGL/OrbitalsDalton.c:136 ../src/OpenGL/OrbitalsDalton.c:137 2616#: ../src/OpenGL/OrbitalsDalton.c:138 ../src/OpenGL/OrbitalsDalton.c:565 2617#: ../src/OpenGL/OrbitalsGamess.c:165 ../src/OpenGL/OrbitalsGamess.c:166 2618#: ../src/OpenGL/OrbitalsGamess.c:167 ../src/OpenGL/OrbitalsGamess.c:1160 2619#: ../src/OpenGL/OrbitalsGamess.c:1161 ../src/OpenGL/OrbitalsGamess.c:1162 2620#: ../src/OpenGL/OrbitalsGamess.c:1175 ../src/OpenGL/OrbitalsGamess.c:1176 2621#: ../src/OpenGL/OrbitalsGamess.c:1177 ../src/OpenGL/OrbitalsGamess.c:1188 2622#: ../src/OpenGL/OrbitalsGamess.c:1189 ../src/OpenGL/OrbitalsGamess.c:1190 2623#: ../src/OpenGL/OrbitalsGamess.c:1294 ../src/OpenGL/OrbitalsGamess.c:1295 2624#: ../src/OpenGL/OrbitalsGamess.c:1296 ../src/OpenGL/OrbitalsMolpro.c:1606 2625#: ../src/OpenGL/OrbitalsMolpro.c:1607 ../src/OpenGL/OrbitalsMolpro.c:1608 2626#: ../src/OpenGL/OrbitalsMolpro.c:1768 ../src/OpenGL/OrbitalsMopac.c:1211 2627#: ../src/OpenGL/OrbitalsMopac.c:1212 ../src/OpenGL/OrbitalsMopac.c:1213 2628#: ../src/OpenGL/OrbitalsMopac.c:1230 ../src/OpenGL/OrbitalsMopac.c:1231 2629#: ../src/OpenGL/OrbitalsMopac.c:1232 ../src/OpenGL/OrbitalsMopac.c:1301 2630#: ../src/OpenGL/OrbitalsMopac.c:1302 ../src/OpenGL/OrbitalsMopac.c:1303 2631#: ../src/OpenGL/OrbitalsOrca.c:705 ../src/OpenGL/OrbitalsOrca.c:706 2632#: ../src/OpenGL/OrbitalsOrca.c:707 ../src/OpenGL/OrbitalsOrca.c:714 2633#: ../src/OpenGL/OrbitalsOrca.c:715 ../src/OpenGL/OrbitalsOrca.c:716 2634#: ../src/OpenGL/OrbitalsOrca.c:759 ../src/OpenGL/OrbitalsOrca.c:760 2635#: ../src/OpenGL/OrbitalsOrca.c:761 ../src/OpenGL/OrbitalsQChem.c:156 2636#: ../src/OpenGL/OrbitalsQChem.c:157 ../src/OpenGL/OrbitalsQChem.c:158 2637#: ../src/OpenGL/OrbitalsQChem.c:1187 ../src/OpenGL/OrbitalsQChem.c:1188 2638#: ../src/OpenGL/OrbitalsQChem.c:1189 ../src/OpenGL/OrbitalsQChem.c:1196 2639#: ../src/OpenGL/OrbitalsQChem.c:1197 ../src/OpenGL/OrbitalsQChem.c:1198 2640#: ../src/OpenGL/OrbitalsQChem.c:1210 ../src/OpenGL/OrbitalsQChem.c:1211 2641#: ../src/OpenGL/OrbitalsQChem.c:1212 ../src/OpenGL/OrbitalsQChem.c:1223 2642#: ../src/OpenGL/OrbitalsQChem.c:1224 ../src/OpenGL/OrbitalsQChem.c:1225 2643#: ../src/OpenGL/OrbitalsQChem.c:1337 ../src/OpenGL/OrbitalsQChem.c:1338 2644#: ../src/OpenGL/OrbitalsQChem.c:1339 ../src/OpenGL/Vibration.c:1042 2645#: ../src/OpenGL/Vibration.c:1043 ../src/OpenGL/Vibration.c:1044 2646#: ../src/OpenGL/Vibration.c:1826 ../src/OpenGL/Vibration.c:1827 2647#: ../src/OpenGL/Vibration.c:1828 ../src/OpenGL/Vibration.c:2105 2648#: ../src/OpenGL/Vibration.c:2106 ../src/OpenGL/Vibration.c:2107 2649#: ../src/OpenGL/Vibration.c:2538 ../src/OpenGL/Vibration.c:2539 2650#: ../src/OpenGL/Vibration.c:2540 ../src/OpenGL/Vibration.c:3106 2651#: ../src/OpenGL/Vibration.c:3107 ../src/OpenGL/Vibration.c:3108 2652msgid "Nothing" 2653msgstr "" 2654 2655#: ../src/Gaussian/GInterfaceMethodeBase.c:492 2656#: ../src/Gaussian/GInterfaceMethodeBase.c:526 ../src/Gaussian/Gaussian.c:354 2657msgid "Hartree Fock" 2658msgstr "" 2659 2660#: ../src/Gaussian/GInterfaceMethodeBase.c:493 2661#: ../src/Gaussian/GInterfaceMethodeBase.c:530 ../src/Gaussian/Gaussian.c:491 2662msgid "CI Methods" 2663msgstr "" 2664 2665#: ../src/Gaussian/GInterfaceMethodeBase.c:494 2666#: ../src/Gaussian/GInterfaceMethodeBase.c:532 ../src/Gaussian/Gaussian.c:469 2667msgid "CASSCF Method" 2668msgstr "" 2669 2670#: ../src/Gaussian/GInterfaceMethodeBase.c:495 2671#: ../src/Gaussian/GInterfaceMethodeBase.c:528 ../src/Gaussian/Gaussian.c:445 2672msgid "MP Methods" 2673msgstr "" 2674 2675#: ../src/Gaussian/GInterfaceMethodeBase.c:496 2676#: ../src/Gaussian/GInterfaceMethodeBase.c:540 ../src/Gaussian/Gaussian.c:233 2677#: ../src/Gaussian/Gaussian.c:239 ../src/Gaussian/Gaussian.c:241 2678#: ../src/Gaussian/Gaussian.c:243 ../src/Gaussian/Gaussian.c:245 2679#: ../src/Gaussian/Gaussian.c:247 ../src/Gaussian/Gaussian.c:252 2680#: ../src/Gaussian/Gaussian.c:254 ../src/Gaussian/Gaussian.c:256 2681#: ../src/Gaussian/Gaussian.c:258 ../src/Gaussian/Gaussian.c:260 2682#: ../src/Gaussian/Gaussian.c:262 ../src/Gaussian/Gaussian.c:558 2683#: ../src/Gaussian/Gaussian.c:569 ../src/Gaussian/Gaussian.c:581 2684msgid "Semi-Empirical Methods" 2685msgstr "" 2686 2687#: ../src/Gaussian/GInterfaceMethodeBase.c:497 2688#: ../src/Gaussian/GInterfaceMethodeBase.c:542 ../src/Gaussian/Gaussian.c:233 2689#: ../src/Gaussian/Gaussian.c:239 ../src/Gaussian/Gaussian.c:241 2690#: ../src/Gaussian/Gaussian.c:243 ../src/Gaussian/Gaussian.c:245 2691#: ../src/Gaussian/Gaussian.c:247 ../src/Gaussian/Gaussian.c:252 2692#: ../src/Gaussian/Gaussian.c:254 ../src/Gaussian/Gaussian.c:256 2693#: ../src/Gaussian/Gaussian.c:258 ../src/Gaussian/Gaussian.c:260 2694#: ../src/Gaussian/Gaussian.c:262 ../src/Gaussian/Gaussian.c:558 2695#: ../src/Gaussian/Gaussian.c:569 ../src/Gaussian/Gaussian.c:581 2696msgid "Molecular Mechanics Methods" 2697msgstr "" 2698 2699#: ../src/Gaussian/GInterfaceMethodeBase.c:498 2700#: ../src/Gaussian/GInterfaceMethodeBase.c:536 ../src/Gaussian/Gaussian.c:355 2701msgid "Hybrid Functional Methods" 2702msgstr "" 2703 2704#: ../src/Gaussian/GInterfaceMethodeBase.c:499 2705#: ../src/Gaussian/GInterfaceMethodeBase.c:534 ../src/Gaussian/Gaussian.c:353 2706#: ../src/Gaussian/Gaussian.c:439 2707msgid "Density Functional Methods" 2708msgstr "" 2709 2710#: ../src/Gaussian/GInterfaceMethodeBase.c:500 2711#: ../src/Gaussian/GInterfaceMethodeBase.c:538 ../src/Gaussian/Gaussian.c:455 2712msgid "Excited States" 2713msgstr "" 2714 2715#: ../src/Gaussian/GInterfaceRoute.c:363 2716msgid "Options for dipole polarizabilities" 2717msgstr "" 2718 2719#: ../src/Gaussian/GInterfaceRoute.c:368 ../src/Gaussian/GInterfaceRoute.c:507 2720msgid " Dipole polar. " 2721msgstr "" 2722 2723#: ../src/Gaussian/GInterfaceRoute.c:372 2724msgid "Dipole polarizabilities" 2725msgstr "" 2726 2727#: ../src/Gaussian/GInterfaceRoute.c:384 ../src/Gaussian/GInterfaceRoute.c:701 2728msgid "Type of second derivatives : " 2729msgstr "" 2730 2731#: ../src/Gaussian/GInterfaceRoute.c:391 2732msgid "Step size in the electric field :" 2733msgstr "" 2734 2735#: ../src/Gaussian/GInterfaceRoute.c:502 2736msgid "Controls of the SCF procedure" 2737msgstr "" 2738 2739#: ../src/Gaussian/GInterfaceRoute.c:511 2740msgid "SCF procedure" 2741msgstr "" 2742 2743#: ../src/Gaussian/GInterfaceRoute.c:529 2744msgid "Algorithm : " 2745msgstr "" 2746 2747#: ../src/Gaussian/GInterfaceRoute.c:535 2748msgid "Shift orbital energies : " 2749msgstr "" 2750 2751#: ../src/Gaussian/GInterfaceRoute.c:541 2752msgid "Maximum number of SCF cycles : " 2753msgstr "" 2754 2755#: ../src/Gaussian/GInterfaceRoute.c:548 2756msgid "Maximum rotation gradient :" 2757msgstr "" 2758 2759#: ../src/Gaussian/GInterfaceRoute.c:556 2760msgid "Convergence criterion :" 2761msgstr "" 2762 2763#: ../src/Gaussian/GInterfaceRoute.c:668 ../src/Gaussian/GInterfaceRoute.c:731 2764#: ../src/Gaussian/GInterfaceRoute.c:790 2765msgid "Compute frequencies" 2766msgstr "" 2767 2768#: ../src/Gaussian/GInterfaceRoute.c:674 2769msgid " Constants force " 2770msgstr "" 2771 2772#: ../src/Gaussian/GInterfaceRoute.c:678 2773msgid "Force constants" 2774msgstr "" 2775 2776#: ../src/Gaussian/GInterfaceRoute.c:689 2777msgid "Compute the vibrational circular dichroism ? : " 2778msgstr "" 2779 2780#: ../src/Gaussian/GInterfaceRoute.c:694 2781msgid "Compute Raman intensities ? : " 2782msgstr "" 2783 2784#: ../src/Gaussian/GInterfaceRoute.c:708 2785msgid "Step-size for numerical differentiation :" 2786msgstr "" 2787 2788#: ../src/Gaussian/GInterfaceRoute.c:733 ../src/Gaussian/GInterfaceRoute.c:816 2789msgid " Controls the SCF procedure" 2790msgstr "" 2791 2792#: ../src/Gaussian/GInterfaceRoute.c:735 ../src/Gaussian/GInterfaceRoute.c:766 2793msgid "Compute the dipole polarizabilities" 2794msgstr "" 2795 2796#: ../src/Gaussian/GInterfaceRoute.c:772 ../src/Gaussian/GInterfaceRoute.c:796 2797#: ../src/Gaussian/GInterfaceRoute.c:1093 2798#: ../src/Gaussian/GInterfaceRoute.c:1094 ../src/NetWork/Process.c:648 2799msgid "Options" 2800msgstr "" 2801 2802#: ../src/Gaussian/GInterfaceRoute.c:825 2803msgid "Go" 2804msgstr "" 2805 2806#: ../src/Gaussian/GInterfaceRoute.c:838 2807msgid "Extra print keys for gabedit" 2808msgstr "" 2809 2810#: ../src/Gaussian/GInterfaceRoute.c:844 2811msgid "Full population analysis" 2812msgstr "" 2813 2814#: ../src/Gaussian/GInterfaceRoute.c:851 2815msgid "Archive" 2816msgstr "" 2817 2818#: ../src/Gaussian/GInterfaceRoute.c:856 2819msgid "Ignore Symmetry" 2820msgstr "" 2821 2822#: ../src/Gaussian/GInterfaceRoute.c:862 2823msgid "Addtional print" 2824msgstr "" 2825 2826#: ../src/Gaussian/GInterfaceRoute.c:868 ../src/OpenGL/PreferencesOrb.c:105 2827msgid "Density" 2828msgstr "" 2829 2830#: ../src/Gaussian/GInterfaceRoute.c:874 2831msgid "Mix HOMO & LUMO in initial guess" 2832msgstr "" 2833 2834#: ../src/Gaussian/GInterfaceRoute.c:879 2835msgid "Read initial Guess from checkpoint" 2836msgstr "" 2837 2838#: ../src/Gaussian/GInterfaceRoute.c:884 2839msgid "Read geometry from checkpoint" 2840msgstr "" 2841 2842#: ../src/Gaussian/GInterfaceRoute.c:903 2843msgid " Coordinate system options :" 2844msgstr "" 2845 2846#: ../src/Gaussian/GInterfaceRoute.c:910 2847msgid " Convergence criteries :" 2848msgstr "" 2849 2850#: ../src/Gaussian/GInterfaceRoute.c:918 2851msgid " MaxCycle :" 2852msgstr "" 2853 2854#: ../src/Gaussian/GInterfaceRoute.c:925 2855msgid " StepSize :" 2856msgstr "" 2857 2858#: ../src/Gaussian/GInterfaceRoute.c:932 2859msgid " Saddle point of order :" 2860msgstr "" 2861 2862#: ../src/Gaussian/GInterfaceRoute.c:937 2863msgid " optimization a transition :" 2864msgstr "" 2865 2866#: ../src/Gaussian/GInterfaceRoute.c:962 ../src/Gaussian/GInterfaceRoute.c:985 2867msgid "Geometry Optimization" 2868msgstr "" 2869 2870#: ../src/Gaussian/GInterfaceRoute.c:983 ../src/Gaussian/Gaussian.c:598 2871#: ../src/Gaussian/Gaussian.c:775 2872msgid "Single Point" 2873msgstr "" 2874 2875#: ../src/Gaussian/GInterfaceRoute.c:1050 2876#: ../src/Gaussian/GInterfaceRoute.c:1051 2877msgid "Main" 2878msgstr "" 2879 2880#: ../src/Gaussian/GInterfaceRoute.c:1065 2881msgid "METHOD" 2882msgstr "" 2883 2884#: ../src/Gaussian/GInterfaceRoute.c:1073 2885msgid "GENERAL" 2886msgstr "" 2887 2888#: ../src/Gaussian/GInterfaceRoute.c:1104 2889msgid "LINK OPTIONS" 2890msgstr "" 2891 2892#: ../src/Gaussian/GInterfaceRoute.c:1109 2893msgid "Input file generated by gabedit..." 2894msgstr "" 2895 2896#: ../src/Gaussian/Gaussian.c:747 ../src/Gaussian/Gaussian.c:913 2897msgid "Variables :\n" 2898msgstr "" 2899 2900#: ../src/Gaussian/Gaussian.c:1091 ../src/Gaussian/Gaussian.c:1185 2901msgid "Gaussian input" 2902msgstr "" 2903 2904#: ../src/Gaussian/Gaussian.c:1093 ../src/Gaussian/Gaussian.c:1188 2905msgid " Gauss input " 2906msgstr "" 2907 2908#: ../src/Geometry/BuildLinear.c:130 ../src/Geometry/BuildRing.c:145 2909#: ../src/Geometry/BuildRoZPhi.c:201 ../src/Geometry/GeomXYZ.c:2337 2910#: ../src/Geometry/MenuToolBarGeom.c:115 ../src/MPQC/MPQCBasisLibrary.c:690 2911#: ../src/Molpro/MInterfaceBasis.c:1027 ../src/Molpro/MolproBasisLibrary.c:736 2912#: ../src/Utils/AtomsProp.c:1442 ../src/Utils/HydrogenBond.c:237 2913msgid "Select your atom" 2914msgstr "" 2915 2916#: ../src/Geometry/BuildLinear.c:180 2917msgid "Build Linear molecule" 2918msgstr "" 2919 2920#: ../src/Geometry/BuildLinear.c:185 ../src/Geometry/BuildNanoTube.c:198 2921msgid " Build lin. mol. " 2922msgstr "" 2923 2924#: ../src/Geometry/BuildLinear.c:206 ../src/Geometry/BuildRing.c:217 2925msgid "Atom : " 2926msgstr "" 2927 2928#: ../src/Geometry/BuildLinear.c:210 ../src/Geometry/BuildRing.c:221 2929#: ../src/Geometry/BuildRoZPhi.c:315 ../src/Geometry/GeomXYZ.c:2667 2930#: ../src/Geometry/GeomXYZ.c:2844 ../src/MPQC/MPQCBasisLibrary.c:772 2931#: ../src/Molpro/MolproBasisLibrary.c:818 2932msgid " Set " 2933msgstr "" 2934 2935#: ../src/Geometry/BuildLinear.c:219 ../src/Geometry/BuildRing.c:230 2936msgid "Number of atoms : " 2937msgstr "" 2938 2939#: ../src/Geometry/BuildLinear.c:228 ../src/Geometry/BuildRing.c:239 2940msgid "Distance between atoms(Ang) : " 2941msgstr "" 2942 2943#: ../src/Geometry/BuildNanoTube.c:193 2944msgid "Build Natotube molecule" 2945msgstr "" 2946 2947#: ../src/Geometry/BuildNanoTube.c:215 2948msgid "Chirality" 2949msgstr "" 2950 2951#: ../src/Geometry/BuildNanoTube.c:238 2952msgid " see PRB,47,5485" 2953msgstr "" 2954 2955#: ../src/Geometry/BuildNanoTube.c:242 2956msgid "C-C bond length" 2957msgstr "" 2958 2959#: ../src/Geometry/BuildNanoTube.c:252 ../src/Utils/AtomsProp.c:1240 2960#: ../src/Utils/AtomsProp.c:1251 ../src/Utils/AtomsProp.c:1262 2961msgid "Angstroms" 2962msgstr "" 2963 2964#: ../src/Geometry/BuildNanoTube.c:256 2965msgid "Number of translational unit cells" 2966msgstr "" 2967 2968#: ../src/Geometry/BuildPolyNucleicAcid.c:951 2969msgid "" 2970"There are no residues to cap!\n" 2971"You must first create a nucleic acid mono-/polymer." 2972msgstr "" 2973 2974#: ../src/Geometry/BuildPolyNucleicAcid.c:961 2975msgid "" 2976"There are not enough residues to cap!\n" 2977"There is only one residue in the molecule,yet \"Double Stranded\" has been " 2978"selected." 2979msgstr "" 2980 2981#: ../src/Geometry/BuildPolyNucleicAcid.c:1028 2982msgid "This residue is already capped(O3T)!" 2983msgstr "" 2984 2985#: ../src/Geometry/BuildPolyNucleicAcid.c:1039 2986msgid "Unable to cap(first) residue." 2987msgstr "" 2988 2989#: ../src/Geometry/BuildPolyNucleicAcid.c:1104 2990msgid "This residue is already capped(HT3)!" 2991msgstr "" 2992 2993#: ../src/Geometry/BuildPolyNucleicAcid.c:1114 2994msgid "Unable to cap residue." 2995msgstr "" 2996 2997#: ../src/Geometry/BuildPolyNucleicAcid.c:1414 2998#, c-format 2999msgid "" 3000"The value for '%s' must be a number.\n" 3001"%s" 3002msgstr "" 3003 3004#: ../src/Geometry/BuildPolyNucleicAcid.c:1475 3005msgid "" 3006"The 3' end of the polynucleotide is already capped. You cannot add more " 3007"residues once you have capped the end.\n" 3008"Suggestion: Don't cap the ends of the polynucleotide until you have finished " 3009"building the entire sequence." 3010msgstr "" 3011 3012#: ../src/Geometry/BuildPolyNucleicAcid.c:1484 3013msgid "" 3014"The 5' end of the polynucleotide is already capped. You cannot add more " 3015"residues once you have capped the end.\n" 3016"Suggestion: Don't cap the ends of the polynucleotide until you have finished " 3017"building the entire sequence." 3018msgstr "" 3019 3020#: ../src/Geometry/BuildPolyNucleicAcid.c:1525 3021msgid "" 3022"Your choices for tip and roll do not correlate. Roll should equal the " 3023"difference of tip and the previous tip.\n" 3024"This check is performed only when tip and roll are both set to nonzero " 3025"values. Suggestion: make either roll = 0 and control the rotation about " 3026"the y-axis using only tip or make tip = 0 and control the rotation with roll." 3027msgstr "" 3028 3029#: ../src/Geometry/BuildPolyNucleicAcid.c:1537 3030msgid "" 3031"Your choices for tilt and inclination do not correlate. Tilt should equal " 3032"the difference of inclination and the previous inclination.\n" 3033"This check is performed only when tilt and inclination are both set to " 3034"nonzero values. Suggestion: make either tilt = 0 and control the rotation " 3035"about the x-axis using only inclination or make inclination = 0 and control " 3036"the rotation with tilt." 3037msgstr "" 3038 3039#: ../src/Geometry/BuildPolyNucleicAcid.c:1549 3040msgid "" 3041"Your choices for dy and slide do not correlate. Slide should equal the " 3042"difference of dy and the previous dy.\n" 3043"This check is performed only when dy and slide are both set to nonzero " 3044"values. Suggestion: make either dy = 0 and control the translation along " 3045"the y-axis using only slide or make slide = 0 and control the translation " 3046"with dy." 3047msgstr "" 3048 3049#: ../src/Geometry/BuildPolyNucleicAcid.c:1560 3050msgid "" 3051"Your choices for dx and shift do not correlate. Shift should equal the " 3052"difference of dx and the previous dx.\n" 3053"This check is performed only when dx and shift are both set to nonzero " 3054"values. Suggestion: make either dx = 0 and control the translation along " 3055"the x-axis using only shift or make shift = 0 and control the translation " 3056"with dx." 3057msgstr "" 3058 3059#: ../src/Geometry/BuildPolyNucleicAcid.c:2094 3060msgid "DNA " 3061msgstr "" 3062 3063#: ../src/Geometry/BuildPolyNucleicAcid.c:2106 3064msgid "Build 3' to 5'" 3065msgstr "" 3066 3067#: ../src/Geometry/BuildPolyNucleicAcid.c:2118 3068msgid "Single Stranded" 3069msgstr "" 3070 3071#: ../src/Geometry/BuildPolyNucleicAcid.c:2124 3072msgid "Double Stranded" 3073msgstr "" 3074 3075#: ../src/Geometry/BuildPolyNucleicAcid.c:2133 3076msgid "Form" 3077msgstr "" 3078 3079#: ../src/Geometry/BuildPolyNucleicAcid.c:2146 3080msgid "Sugar Pucker" 3081msgstr "" 3082 3083#: ../src/Geometry/BuildPolyNucleicAcid.c:2158 3084msgid "Add Counter Ion" 3085msgstr "" 3086 3087#: ../src/Geometry/BuildPolyNucleicAcid.c:2262 3088msgid "Torsion Angles" 3089msgstr "" 3090 3091#: ../src/Geometry/BuildPolyNucleicAcid.c:2314 3092msgid "Translational Helical Parameters" 3093msgstr "" 3094 3095#: ../src/Geometry/BuildPolyNucleicAcid.c:2349 3096msgid "Rotational Helical Parameters" 3097msgstr "" 3098 3099#: ../src/Geometry/BuildPolyNucleicAcid.c:2434 3100msgid "Build PolyNucleicAcid molecule" 3101msgstr "" 3102 3103#: ../src/Geometry/BuildPolyNucleicAcid.c:2438 3104msgid " Build PolyNuc" 3105msgstr "" 3106 3107#: ../src/Geometry/BuildPolyNucleicAcid.c:2444 3108msgid "Build" 3109msgstr "" 3110 3111#: ../src/Geometry/BuildPolyNucleicAcid.c:2446 3112msgid "Parameters" 3113msgstr "" 3114 3115#: ../src/Geometry/BuildPolyNucleicAcid.c:2470 3116#: ../src/Geometry/BuildPolyPeptide.c:1560 3117#: ../src/Geometry/BuildPolySaccharide.c:926 ../src/Geometry/BuildRoZPhi.c:343 3118#: ../src/Geometry/InterfaceGeom.c:572 3119#: ../src/IsotopeDistribution/IsotopeDistributionCalculatorDlg.c:656 3120#: ../src/MPQC/MPQCFunctionals.c:583 ../src/OpenGL/Orbitals.c:1159 3121#: ../src/OpenGL/PreferencesOrb.c:516 ../src/OpenGL/PrincipalAxisGL.c:588 3122#: ../src/OpenGL/UtilsOrb.c:2574 ../src/Utils/AtomsProp.c:1467 3123#: ../src/Utils/ConvUtils.c:944 ../src/Utils/UtilsInterface.c:566 3124#: ../src/Utils/UtilsInterface.c:567 ../src/Utils/UtilsInterface.c:2905 3125msgid "Close" 3126msgstr "" 3127 3128#: ../src/Geometry/BuildPolyPeptide.c:1517 3129msgid "Build PolyPeptide molecule" 3130msgstr "" 3131 3132#: ../src/Geometry/BuildPolyPeptide.c:1522 3133msgid " Build PolyPep. mol. " 3134msgstr "" 3135 3136#: ../src/Geometry/BuildPolyPeptide.c:1554 3137msgid "Add C-capping" 3138msgstr "" 3139 3140#: ../src/Geometry/BuildPolySaccharide.c:592 3141msgid "" 3142"The O1-C1 bond acts as a cap to the chain.\n" 3143"Suggestion: Use O1-C1 only for disaccharides or to cap a chain." 3144msgstr "" 3145 3146#: ../src/Geometry/BuildPolySaccharide.c:716 3147msgid "Connectivity" 3148msgstr "" 3149 3150#: ../src/Geometry/BuildPolySaccharide.c:764 3151msgid "Isomer" 3152msgstr "" 3153 3154#: ../src/Geometry/BuildPolySaccharide.c:798 3155msgid "Conformation" 3156msgstr "" 3157 3158#: ../src/Geometry/BuildPolySaccharide.c:888 3159msgid "Build PolySaccharide molecule" 3160msgstr "" 3161 3162#: ../src/Geometry/BuildPolySaccharide.c:894 3163msgid " Build PolySacc. mol. " 3164msgstr "" 3165 3166#: ../src/Geometry/BuildRing.c:195 3167msgid "Build Ring molecule" 3168msgstr "" 3169 3170#: ../src/Geometry/BuildRing.c:200 3171msgid " Build Ring mol. " 3172msgstr "" 3173 3174#: ../src/Geometry/BuildRoZPhi.c:270 3175msgid "Build a molecule with an axis symmetry" 3176msgstr "" 3177 3178#: ../src/Geometry/BuildRoZPhi.c:276 3179msgid " Build sym. mol. " 3180msgstr "" 3181 3182#: ../src/Geometry/BuildRoZPhi.c:331 3183msgid " Insert " 3184msgstr "" 3185 3186#: ../src/Geometry/DrawGeom.c:753 3187msgid "" 3188"The type of One (or several) of atoms is not a Amber type.\n" 3189"You can set the types of atoms by : \n" 3190" \"Set/Atom Type&Charge using PDB Template\" \n" 3191" \"Or\" \n" 3192" \"Set/Atom Types using connections types\" \n" 3193msgstr "" 3194 3195#: ../src/Geometry/DrawGeom.c:759 ../src/Geometry/DrawGeom.c:769 3196#: ../src/Geometry/DrawGeom.c:4969 ../src/Geometry/DrawGeom.c:5089 3197#: ../src/Geometry/DrawGeom.c:9154 ../src/Geometry/DrawGeom.c:9547 3198#: ../src/Geometry/GeomConversion.c:900 ../src/Geometry/GeomConversion.c:1653 3199#: ../src/Geometry/GeomXYZ.c:2813 ../src/Geometry/GeomXYZ.c:11610 3200#: ../src/Geometry/GeomXYZ.c:11612 ../src/Geometry/GeomZmatrix.c:2650 3201#: ../src/Geometry/GeomZmatrix.c:2703 ../src/Geometry/GeomZmatrix.c:2805 3202#: ../src/Geometry/GeomZmatrix.c:2892 ../src/Geometry/GeomZmatrix.c:3120 3203#: ../src/Geometry/GeomZmatrix.c:3132 ../src/Geometry/GeomZmatrix.c:3152 3204#: ../src/Geometry/GeomZmatrix.c:3164 ../src/Geometry/GeomZmatrix.c:3184 3205#: ../src/Geometry/GeomZmatrix.c:3197 ../src/Geometry/GeomZmatrix.c:3324 3206#: ../src/Geometry/GeomZmatrix.c:3334 ../src/Geometry/GeomZmatrix.c:3359 3207#: ../src/Geometry/GeomZmatrix.c:3369 ../src/Geometry/GeomZmatrix.c:3394 3208#: ../src/Geometry/GeomZmatrix.c:3404 ../src/Geometry/GeomZmatrix.c:3436 3209#: ../src/Geometry/GeomZmatrix.c:3694 ../src/Geometry/GeomZmatrix.c:3696 3210#: ../src/Geometry/GeomZmatrix.c:5916 ../src/Geometry/GeomZmatrix.c:6410 3211#: ../src/Geometry/GeomZmatrix.c:6569 ../src/Geometry/GeomZmatrix.c:6632 3212#: ../src/Geometry/GeomZmatrix.c:6638 ../src/Geometry/GeomZmatrix.c:6646 3213#: ../src/Geometry/GeomZmatrix.c:6673 ../src/Geometry/GeomZmatrix.c:6681 3214#: ../src/Geometry/GeomZmatrix.c:6743 ../src/Geometry/GeomZmatrix.c:6745 3215#: ../src/Geometry/GeomZmatrix.c:6810 ../src/Geometry/GeomZmatrix.c:6818 3216#: ../src/Geometry/GeomZmatrix.c:6835 ../src/Geometry/InterfaceGeom.c:61 3217#: ../src/Geometry/InterfaceGeom.c:75 ../src/Geometry/InterfaceGeom.c:89 3218#: ../src/Geometry/InterfaceGeom.c:104 ../src/Geometry/InterfaceGeom.c:118 3219#: ../src/Molcas/MolcasGateWay.c:1205 ../src/Molpro/MInterfaceBasis.c:934 3220#: ../src/Molpro/MInterfaceBasis.c:939 ../src/Molpro/MInterfaceComm.c:807 3221#: ../src/Molpro/MInterfaceComm.c:846 ../src/Molpro/MInterfaceComm.c:878 3222#: ../src/OpenGL/GridCube.c:392 ../src/OpenGL/GridCube.c:652 3223#: ../src/OpenGL/GridCube.c:1648 ../src/OpenGL/GridCube.c:1684 3224#: ../src/Spectrum/NMRSpectrum.c:195 ../src/Spectrum/NMRSpectrum.c:876 3225#: ../src/Spectrum/NMRSpectrum.c:916 ../src/Spectrum/NMRSpectrum.c:1101 3226#: ../src/Spectrum/NMRSpectrum.c:1130 ../src/Utils/AtomsProp.c:900 3227#: ../src/Utils/AtomsProp.c:909 ../src/Utils/AtomsProp.c:918 3228#: ../src/Utils/AtomsProp.c:927 ../src/Utils/AtomsProp.c:936 3229#: ../src/Utils/AtomsProp.c:945 ../src/Utils/AtomsProp.c:986 3230#: ../src/Utils/HydrogenBond.c:184 ../src/Utils/UtilsInterface.c:471 3231#: ../src/Utils/UtilsInterface.c:753 ../src/Utils/UtilsInterface.c:1171 3232#: ../src/Utils/UtilsInterface.c:1190 ../src/Utils/UtilsInterface.c:1203 3233#: ../src/Utils/UtilsInterface.c:1216 ../src/Utils/UtilsInterface.c:1229 3234#: ../src/Utils/UtilsInterface.c:1812 ../src/Utils/UtilsInterface.c:2267 3235msgid "Warning" 3236msgstr "" 3237 3238#: ../src/Geometry/DrawGeom.c:765 3239msgid "" 3240"The types of the atoms are identical to the symbols of these atoms.\n" 3241"You can set the types of atoms by \n" 3242"\"Set/Atom Types using connections types\" \n" 3243msgstr "" 3244 3245#: ../src/Geometry/DrawGeom.c:2092 ../src/Geometry/DrawGeom.c:2135 3246msgid "Sorry, the number of atoms is not positive" 3247msgstr "" 3248 3249#: ../src/Geometry/DrawGeom.c:3025 3250msgid "Select by Residue name" 3251msgstr "" 3252 3253#: ../src/Geometry/DrawGeom.c:3029 ../src/Geometry/DrawGeom.c:3119 3254#: ../src/Geometry/DrawGeom.c:3249 ../src/Geometry/DrawGeom.c:3377 3255#: ../src/Geometry/DrawGeom.c:3505 3256msgid " Sel. Res. " 3257msgstr "" 3258 3259#: ../src/Geometry/DrawGeom.c:3044 3260msgid " Residue Name : " 3261msgstr "" 3262 3263#: ../src/Geometry/DrawGeom.c:3115 3264msgid "Select by Residue number" 3265msgstr "" 3266 3267#: ../src/Geometry/DrawGeom.c:3136 3268msgid " Residue Number : " 3269msgstr "" 3270 3271#: ../src/Geometry/DrawGeom.c:3245 3272msgid "Select by Type" 3273msgstr "" 3274 3275#: ../src/Geometry/DrawGeom.c:3264 ../src/Geometry/DrawGeom.c:3392 3276#: ../src/Geometry/DrawGeom.c:3653 ../src/Geometry/DrawGeom.c:3752 3277msgid " Type Name : " 3278msgstr "" 3279 3280#: ../src/Geometry/DrawGeom.c:3373 3281msgid "Select by PDB Type" 3282msgstr "" 3283 3284#: ../src/Geometry/DrawGeom.c:3501 3285msgid "Select by Symbol" 3286msgstr "" 3287 3288#: ../src/Geometry/DrawGeom.c:3520 3289msgid " Symbol : " 3290msgstr "" 3291 3292#: ../src/Geometry/DrawGeom.c:3634 3293msgid "Set MM Type of selected atoms" 3294msgstr "" 3295 3296#: ../src/Geometry/DrawGeom.c:3638 ../src/Geometry/DrawGeom.c:3737 3297msgid " Set Sel. Type." 3298msgstr "" 3299 3300#: ../src/Geometry/DrawGeom.c:3733 3301msgid "Set PDB Type of selected atoms" 3302msgstr "" 3303 3304#: ../src/Geometry/DrawGeom.c:3869 3305msgid "Set Charge of selected atoms" 3306msgstr "" 3307 3308#: ../src/Geometry/DrawGeom.c:3873 3309msgid " Set Sel. Charge." 3310msgstr "" 3311 3312#: ../src/Geometry/DrawGeom.c:3888 3313msgid " Charge : " 3314msgstr "" 3315 3316#: ../src/Geometry/DrawGeom.c:3950 3317msgid "Scale charges of selected atoms" 3318msgstr "" 3319 3320#: ../src/Geometry/DrawGeom.c:3954 3321msgid " Scal. Char. " 3322msgstr "" 3323 3324#: ../src/Geometry/DrawGeom.c:3967 3325msgid " Factor : " 3326msgstr "" 3327 3328#: ../src/Geometry/DrawGeom.c:4969 3329msgid "No molecule to delete\n" 3330msgstr "" 3331 3332#: ../src/Geometry/DrawGeom.c:5012 ../src/Geometry/MenuToolBarGeom.c:693 3333msgid "Save image in jpeg file format" 3334msgstr "" 3335 3336#: ../src/Geometry/DrawGeom.c:5015 ../src/Geometry/MenuToolBarGeom.c:698 3337#: ../src/OpenGL/MenuToolBarGL.c:669 3338msgid "Save image in ppm file format" 3339msgstr "" 3340 3341#: ../src/Geometry/DrawGeom.c:5018 ../src/Geometry/MenuToolBarGeom.c:703 3342#: ../src/OpenGL/MenuToolBarGL.c:674 3343msgid "Save image in bmp file format" 3344msgstr "" 3345 3346#: ../src/Geometry/DrawGeom.c:5021 ../src/Geometry/MenuToolBarGeom.c:718 3347#: ../src/OpenGL/MenuToolBarGL.c:694 3348msgid "Save image in ps file format" 3349msgstr "" 3350 3351#: ../src/Geometry/DrawGeom.c:5050 ../src/Geometry/MenuToolBarGeom.c:414 3352msgid "Load Geom. Conv. From Dalton Output file" 3353msgstr "" 3354 3355#: ../src/Geometry/DrawGeom.c:5054 ../src/Geometry/MenuToolBarGeom.c:416 3356msgid "Load Geom. Conv. From Gamess Output file" 3357msgstr "" 3358 3359#: ../src/Geometry/DrawGeom.c:5058 ../src/Geometry/MenuToolBarGeom.c:424 3360msgid "Load Geom. Conv. From Gaussian Output file" 3361msgstr "" 3362 3363#: ../src/Geometry/DrawGeom.c:5062 ../src/Geometry/MenuToolBarGeom.c:426 3364msgid "Load Geom. Conv. From Molpro log file" 3365msgstr "" 3366 3367#: ../src/Geometry/DrawGeom.c:5066 ../src/Geometry/MenuToolBarGeom.c:441 3368msgid "Load Geom. Conv. From Molden file" 3369msgstr "" 3370 3371#: ../src/Geometry/DrawGeom.c:5070 ../src/Geometry/MenuToolBarGeom.c:438 3372msgid "Load Geom. Conv. From Gabedit file" 3373msgstr "" 3374 3375#: ../src/Geometry/DrawGeom.c:5074 ../src/Geometry/MenuToolBarGeom.c:430 3376msgid "Load Geom. Conv. From MPQC output file" 3377msgstr "" 3378 3379#: ../src/Geometry/DrawGeom.c:5078 ../src/Geometry/MenuToolBarGeom.c:443 3380msgid "Load Geom. Conv. From XYZ" 3381msgstr "" 3382 3383#: ../src/Geometry/DrawGeom.c:5089 3384msgid "Sorry,No molecule to save\n" 3385msgstr "" 3386 3387#: ../src/Geometry/DrawGeom.c:5095 ../src/Geometry/MenuToolBarGeom.c:567 3388msgid "Save geometry in xyz file" 3389msgstr "" 3390 3391#: ../src/Geometry/DrawGeom.c:5099 ../src/Geometry/MenuToolBarGeom.c:577 3392msgid "Save geometry in mol2 file" 3393msgstr "" 3394 3395#: ../src/Geometry/DrawGeom.c:5103 ../src/Geometry/MenuToolBarGeom.c:582 3396msgid "Save geometry in tinker file" 3397msgstr "" 3398 3399#: ../src/Geometry/DrawGeom.c:5107 ../src/Geometry/MenuToolBarGeom.c:587 3400msgid "Save geometry in pdb file" 3401msgstr "" 3402 3403#: ../src/Geometry/DrawGeom.c:5111 ../src/Geometry/MenuToolBarGeom.c:592 3404msgid "Save geometry in hyperchem file" 3405msgstr "" 3406 3407#: ../src/Geometry/DrawGeom.c:5115 3408msgid "Save geometry in gabedit file" 3409msgstr "" 3410 3411#: ../src/Geometry/DrawGeom.c:5121 ../src/Geometry/DrawGeom.c:5132 3412#: ../src/Geometry/MenuToolBarGeom.c:600 ../src/Geometry/MenuToolBarGeom.c:613 3413msgid "" 3414"Sorry\n" 3415"Conversion is not possible from XYZ to Zmat" 3416msgstr "" 3417 3418#: ../src/Geometry/DrawGeom.c:5124 ../src/Geometry/MenuToolBarGeom.c:603 3419msgid "Save geometry in mopac z-matrix file" 3420msgstr "" 3421 3422#: ../src/Geometry/DrawGeom.c:5135 ../src/Geometry/MenuToolBarGeom.c:616 3423msgid "Save geometry in gaussian z-matrix file" 3424msgstr "" 3425 3426#: ../src/Geometry/DrawGeom.c:5160 ../src/Geometry/InterfaceGeom.c:169 3427#: ../src/Geometry/InterfaceGeom.c:345 ../src/Geometry/InterfaceGeom.c:437 3428#: ../src/Geometry/MenuToolBarGeom.c:385 3429msgid "Read Geometry from a Gaussian input file" 3430msgstr "" 3431 3432#: ../src/Geometry/DrawGeom.c:5164 ../src/Geometry/InterfaceGeom.c:172 3433#: ../src/Geometry/InterfaceGeom.c:360 ../src/Geometry/InterfaceGeom.c:450 3434#: ../src/Geometry/MenuToolBarGeom.c:389 3435msgid "Read Geometry from a Molcas input file" 3436msgstr "" 3437 3438#: ../src/Geometry/DrawGeom.c:5168 ../src/Geometry/InterfaceGeom.c:350 3439#: ../src/Geometry/InterfaceGeom.c:463 ../src/Geometry/MenuToolBarGeom.c:392 3440msgid "Read Geometry from a Molpro input file" 3441msgstr "" 3442 3443#: ../src/Geometry/DrawGeom.c:5172 ../src/Geometry/InterfaceGeom.c:178 3444#: ../src/Geometry/InterfaceGeom.c:355 ../src/Geometry/InterfaceGeom.c:476 3445#: ../src/Geometry/MenuToolBarGeom.c:403 3446msgid "Read Geometry from a MPQC input file" 3447msgstr "" 3448 3449#: ../src/Geometry/DrawGeom.c:5722 3450#, c-format 3451msgid "" 3452"%s[%d] ; Coord (Ang) : %f %f %f ; Move your mouse to cancel the operation " 3453msgstr "" 3454 3455#: ../src/Geometry/DrawGeom.c:5730 3456msgid "Move your mouse to cancel the operation " 3457msgstr "" 3458 3459#: ../src/Geometry/DrawGeom.c:6934 3460msgid "" 3461" Press the Left mouse button and move your mouse for a \"Rotate molecule\". " 3462msgstr "" 3463 3464#: ../src/Geometry/DrawGeom.c:6935 3465msgid "" 3466" Press the Left mouse button and move your mouse for a \"Rotate molecule " 3467"about z axis\". " 3468msgstr "" 3469 3470#: ../src/Geometry/DrawGeom.c:6936 3471msgid "" 3472" Press the Left mouse button and move your mouse for a \"Translation\". " 3473msgstr "" 3474 3475#: ../src/Geometry/DrawGeom.c:6937 3476msgid " Press the Left mouse button and move your mouse for a \"Zoom\". " 3477msgstr "" 3478 3479#: ../src/Geometry/DrawGeom.c:6938 3480msgid " Press the Left mouse button and move your mouse for \"Scale Stick\". " 3481msgstr "" 3482 3483#: ../src/Geometry/DrawGeom.c:6939 3484msgid " Press the Left mouse button and move your mouse for \"Scale Ball\". " 3485msgstr "" 3486 3487#: ../src/Geometry/DrawGeom.c:6940 3488msgid " Press the Left mouse button and move your mouse for \"Scale Dipole\". " 3489msgstr "" 3490 3491#: ../src/Geometry/DrawGeom.c:6941 3492msgid "" 3493"Pick an atom to select a residue, G key + pick an atom to select a group, Or " 3494"F key + move your mouse to select a fragments. Use shift key for more " 3495"selections." 3496msgstr "" 3497 3498#: ../src/Geometry/DrawGeom.c:6942 3499msgid "" 3500" Press the Left mouse button and move your mouse for \"select a fragments\"." 3501"Use shift key for more selections. " 3502msgstr "" 3503 3504#: ../src/Geometry/DrawGeom.c:6943 3505msgid "" 3506" Press the Left mouse button for pick an atom, all atoms for residue of " 3507"this atom are selected(or unselected)." 3508msgstr "" 3509 3510#: ../src/Geometry/DrawGeom.c:6944 3511msgid "" 3512" Press the Left mouse button(for pick an atom or all selected atoms) and " 3513"release for \"Delete selected atom(s)\". " 3514msgstr "" 3515 3516#: ../src/Geometry/DrawGeom.c:6945 3517msgid "" 3518" Press the Left mouse button and move your mouse for \"Rotatation of " 3519"selected atom(s)[Local Rotation]\". " 3520msgstr "" 3521 3522#: ../src/Geometry/DrawGeom.c:6946 3523msgid "" 3524" Press the Left mouse button and move your mouse for \"Rotation, about z " 3525"axis, of selected atom(s)[Local Rotation]\". " 3526msgstr "" 3527 3528#: ../src/Geometry/DrawGeom.c:6947 3529msgid "" 3530" Press the Left mouse button(for pick an atom or all selected atoms) and " 3531"move your mouse for \"Move selected atom(s)\". " 3532msgstr "" 3533 3534#: ../src/Geometry/DrawGeom.c:6948 3535msgid "" 3536" Press and release the Left mouse button for \"Insert/Change atom(s)/bond\"." 3537"\"Pick an atom for replace it.\"" 3538msgstr "" 3539 3540#: ../src/Geometry/DrawGeom.c:6949 3541msgid "" 3542" Press and release the Left mouse button for \"Insert atom(s)/bond\".\"Pick " 3543"an atom for replace it.\"" 3544msgstr "" 3545 3546#: ../src/Geometry/DrawGeom.c:6950 3547msgid "" 3548" Press the Left mouse button(for pick a bond) and release for \"Change " 3549"selected bond\". " 3550msgstr "" 3551 3552#: ../src/Geometry/DrawGeom.c:6951 3553msgid "" 3554" Press the Left mouse button(for pick a bond) and release for \"Delete " 3555"selected bond\". " 3556msgstr "" 3557 3558#: ../src/Geometry/DrawGeom.c:6952 3559msgid " Press and release the Left mouse button for \"Select your atoms\". " 3560msgstr "" 3561 3562#: ../src/Geometry/DrawGeom.c:6957 3563msgid " Press and release the Left mouse button for \"Insert a Fragment\". " 3564msgstr "" 3565 3566#: ../src/Geometry/DrawGeom.c:7188 ../src/Geometry/DrawGeom.c:7230 3567#, c-format 3568msgid "" 3569"Total Charge = %f\n" 3570"Sum of positive charges = %f\n" 3571"Sum of negative charges = %f\n" 3572"positive/negative = %f\n" 3573"negative/positive = %f\n" 3574msgstr "" 3575 3576#: ../src/Geometry/DrawGeom.c:7199 ../src/Geometry/DrawGeom.c:7241 3577#, c-format 3578msgid "" 3579"Total Charge = %f\n" 3580"Sum of positive charges = %f\n" 3581"Sum of negative charges = %f\n" 3582msgstr "" 3583 3584#: ../src/Geometry/DrawGeom.c:7337 3585msgid "Charge by residues" 3586msgstr "" 3587 3588#: ../src/Geometry/DrawGeom.c:7344 3589#, c-format 3590msgid "%s[%d] Charge = %f\n" 3591msgstr "" 3592 3593#: ../src/Geometry/DrawGeom.c:7374 3594#, c-format 3595msgid "Dipole (Debye) : X= %f Y= %f Z= %f Tot=%f\n" 3596msgstr "" 3597 3598#: ../src/Geometry/DrawGeom.c:9154 3599msgid "No hydrogen atoms to remove\n" 3600msgstr "" 3601 3602#: ../src/Geometry/DrawGeom.c:9547 3603msgid "" 3604"Error in conversion\n" 3605" Zmatix to xyz " 3606msgstr "" 3607 3608#: ../src/Geometry/DrawGeom.c:10993 ../src/Geometry/DrawGeom.c:11462 3609msgid "Measure" 3610msgstr "" 3611 3612#: ../src/Geometry/DrawGeom.c:11168 3613msgid "Set Background Color" 3614msgstr "" 3615 3616#: ../src/Geometry/DrawGeom.c:11390 3617msgid "Gabedit : Draw Geometry " 3618msgstr "" 3619 3620#: ../src/Geometry/DrawGeom.c:11394 3621msgid " Draw Geom. " 3622msgstr "" 3623 3624#: ../src/Geometry/DrawGeom.c:11487 ../src/Geometry/DrawGeom.c:11515 3625msgid "Rotation" 3626msgstr "" 3627 3628#: ../src/Geometry/DrawGeom.c:11491 3629msgid " Press the Midle mouse button and move your mouse for a \"Rotation\". " 3630msgstr "" 3631 3632#: ../src/Geometry/DrawGeom.c:11504 3633msgid " Press the Right mouse button for display the popup menu. " 3634msgstr "" 3635 3636#: ../src/Geometry/DrawGeom.c:11519 3637msgid " Press the Left mouse button and move your mouse for a \"Rotation\". " 3638msgstr "" 3639 3640#: ../src/Geometry/EnergiesCurves.c:350 ../src/MPQC/MPQCOptimization.c:196 3641#: ../src/Molcas/MolcasOptimization.c:160 3642msgid "Single point" 3643msgstr "" 3644 3645#: ../src/Geometry/EnergiesCurves.c:577 ../src/Geometry/EnergiesCurves.c:731 3646msgid "" 3647"Sorry\n" 3648" I can not read energies from your gaussian output file\n" 3649msgstr "" 3650 3651#: ../src/Geometry/EnergiesCurves.c:580 ../src/Geometry/EnergiesCurves.c:583 3652#: ../src/Geometry/EnergiesCurves.c:734 3653msgid "" 3654"Sorry\n" 3655" I can not read energies from your molpro log file\n" 3656msgstr "" 3657 3658#: ../src/Geometry/EnergiesCurves.c:586 ../src/Geometry/EnergiesCurves.c:740 3659msgid "" 3660"Sorry\n" 3661" I can not read energies from your molden file\n" 3662msgstr "" 3663 3664#: ../src/Geometry/EnergiesCurves.c:589 ../src/Geometry/EnergiesCurves.c:743 3665msgid "" 3666"Sorry\n" 3667" I can not read energies from your gabedit file\n" 3668msgstr "" 3669 3670#: ../src/Geometry/EnergiesCurves.c:592 ../src/Geometry/EnergiesCurves.c:746 3671msgid "" 3672"Sorry\n" 3673" I can not read energies from your MPQC output file\n" 3674msgstr "" 3675 3676#: ../src/Geometry/EnergiesCurves.c:595 3677msgid "" 3678"Sorry\n" 3679" I can not read your XYZ file\n" 3680msgstr "" 3681 3682#: ../src/Geometry/EnergiesCurves.c:598 ../src/Geometry/EnergiesCurves.c:755 3683msgid "" 3684"Sorry\n" 3685" I can not read energies\n" 3686msgstr "" 3687 3688#: ../src/Geometry/EnergiesCurves.c:737 3689msgid "" 3690"Sorry\n" 3691" I can not read energies from your q-chem output file\n" 3692msgstr "" 3693 3694#: ../src/Geometry/EnergiesCurves.c:749 3695msgid "" 3696"Sorry\n" 3697" I can not read energies from your Mopax aux file\n" 3698msgstr "" 3699 3700#: ../src/Geometry/EnergiesCurves.c:752 3701msgid "" 3702"Sorry\n" 3703" I can not read your xyz file\n" 3704msgstr "" 3705 3706#: ../src/Geometry/EnergiesCurves.c:770 3707#, c-format 3708msgid "Geometry convergence from file : %s" 3709msgstr "" 3710 3711#: ../src/Geometry/EnergiesCurves.c:795 ../src/Geometry/ResultsAnalise.c:2625 3712msgid "Geom. Conv." 3713msgstr "" 3714 3715#: ../src/Geometry/ExportGeom.c:48 ../src/Geometry/GeomXYZ.c:1637 3716#: ../src/Geometry/GeomXYZ.c:1760 ../src/Geometry/GeomXYZ.c:3641 3717#: ../src/Geometry/GeomXYZ.c:3745 ../src/Geometry/GeomXYZ.c:4348 3718#: ../src/Geometry/GeomXYZ.c:10178 ../src/Geometry/GeomZmatrix.c:2100 3719#: ../src/Geometry/GeomZmatrix.c:2276 ../src/Geometry/ImagesGeom.c:37 3720#: ../src/Geometry/ImagesGeom.c:177 ../src/Geometry/ImagesGeom.c:252 3721#: ../src/Geometry/ImagesGeom.c:403 ../src/Geometry/ResultsAnalise.c:2307 3722#: ../src/Geometry/ResultsAnalise.c:2321 ../src/Geometry/ResultsAnalise.c:2335 3723#: ../src/Geometry/ResultsAnalise.c:2349 ../src/Geometry/ResultsAnalise.c:2363 3724#: ../src/Geometry/ResultsAnalise.c:2377 ../src/Geometry/ResultsAnalise.c:2392 3725#: ../src/Geometry/ResultsAnalise.c:2406 ../src/Geometry/ResultsAnalise.c:2420 3726#: ../src/Geometry/ResultsAnalise.c:2434 ../src/Geometry/ResultsAnalise.c:2448 3727#: ../src/Geometry/ResultsAnalise.c:2462 ../src/Geometry/ResultsAnalise.c:2476 3728#: ../src/Geometry/ResultsAnalise.c:2490 ../src/OpenGL/CaptureOrbitals.c:74 3729#: ../src/OpenGL/GeomOrbXYZ.c:482 ../src/OpenGL/GeomOrbXYZ.c:715 3730#: ../src/OpenGL/GeomOrbXYZ.c:894 ../src/OpenGL/GeomOrbXYZ.c:1111 3731#: ../src/OpenGL/Images.c:70 ../src/OpenGL/Images.c:91 3732#: ../src/OpenGL/Images.c:112 ../src/OpenGL/Images.c:146 3733#: ../src/OpenGL/Images.c:206 ../src/OpenGL/Images.c:250 3734#: ../src/OpenGL/Images.c:322 ../src/OpenGL/Images.c:425 3735#: ../src/VibrationalCorrections/GabeditGaussianInput.c:197 3736#, c-format 3737msgid "" 3738"Sorry\n" 3739" No selected file" 3740msgstr "" 3741 3742#: ../src/Geometry/FragmentsSelector.c:80 3743msgid "" 3744" * In the fragment selector :\n" 3745" Clic to an atom (generally a H atom) connected to only one other " 3746"atom. \n" 3747" This atom is colored in red.\n" 3748" The atom connected to red atom is colored in green.\n" 3749" A third atom is colored in blue.\n" 3750" To change the blue atom : \n" 3751" select the red atom and move the mouse (button always " 3752"pressed).\n" 3753" The angle between red-green-blue atoms cannot be null\n" 3754" Clic to red atom for unselect all.\n" 3755"\n" 3756" * In the Draw geometry window :\n" 3757" Clic to an atom (generally a H atom) connected to only one other " 3758"atom.\n" 3759" This atom is colored in red.\n" 3760" The atom connected to red atom is colored in green.\n" 3761" A third atom is colored in blue.\n" 3762" To change the blue atom : \n" 3763" select the red atom and move the mouse (button always " 3764"pressed).\n" 3765" The angle between red-green-blue atoms cannot be null\n" 3766"\n" 3767" After release of the left mouse button :\n" 3768" The red atom of fragment is placed on the green atom of the old " 3769"molecule\n" 3770" the fragment is rotated so that the red, green atoms are aligned\n" 3771" The red atoms are deleted\n" 3772" The dihedral angle between the blue, green (of molecule), green and " 3773"blue (of fragment) is set to the value given by user\n" 3774"\n" 3775" If all atoms of the fragment are unselected, then all these atoms are " 3776"inserted in the molecule.\n" 3777msgstr "" 3778 3779#: ../src/Geometry/FragmentsSelector.c:142 3780msgid "Gabedit : Fragment Selector " 3781msgstr "" 3782 3783#: ../src/Geometry/FragmentsSelector.c:148 3784msgid " Frag. Sel. " 3785msgstr "" 3786 3787#: ../src/Geometry/GeomConversion.c:755 3788#, c-format 3789msgid "I cannot convert the zmat to xyz\n" 3790msgstr "" 3791 3792#: ../src/Geometry/GeomConversion.c:900 ../src/Geometry/GeomConversion.c:1653 3793msgid "" 3794"Sorry\n" 3795"Conversion is not possible" 3796msgstr "" 3797 3798#: ../src/Geometry/GeomConversion.c:1306 3799#, c-format 3800msgid "Sorry I cannot compute the levels of groupes\n" 3801msgstr "" 3802 3803#: ../src/Geometry/GeomXYZ.c:935 ../src/Geometry/GeomXYZ.c:11510 3804#: ../src/Geometry/GeomXYZ.c:11675 ../src/Geometry/GeomZmatrix.c:244 3805#: ../src/Geometry/GeomZmatrix.c:6638 ../src/Geometry/GeomZmatrix.c:6810 3806msgid "Sorry a other variable have any Name !\n" 3807msgstr "" 3808 3809#: ../src/Geometry/GeomXYZ.c:943 ../src/Geometry/GeomXYZ.c:1151 3810#: ../src/Geometry/GeomXYZ.c:11517 ../src/Geometry/GeomXYZ.c:11705 3811#: ../src/Geometry/GeomZmatrix.c:252 ../src/Geometry/GeomZmatrix.c:1439 3812#: ../src/Geometry/GeomZmatrix.c:6645 ../src/Geometry/GeomZmatrix.c:6834 3813#, c-format 3814msgid "Sorry %s is not a number \n" 3815msgstr "" 3816 3817#: ../src/Geometry/GeomXYZ.c:1023 ../src/Geometry/GeomZmatrix.c:1045 3818#, c-format 3819msgid "Sorry %s is not a symbol for an atom \n" 3820msgstr "" 3821 3822#: ../src/Geometry/GeomXYZ.c:1113 ../src/Geometry/GeomXYZ.c:2416 3823#: ../src/Geometry/GeomXYZ.c:2510 ../src/Geometry/GeomZmatrix.c:1136 3824#: ../src/Geometry/GeomZmatrix.c:3129 ../src/Geometry/GeomZmatrix.c:3161 3825#: ../src/Geometry/GeomZmatrix.c:3194 ../src/Geometry/GeomZmatrix.c:3332 3826#: ../src/Geometry/GeomZmatrix.c:3366 ../src/Geometry/GeomZmatrix.c:3401 3827#, c-format 3828msgid "" 3829"Sorry\n" 3830" %s \n" 3831"is not a number \n" 3832"and is not a variable " 3833msgstr "" 3834 3835#: ../src/Geometry/GeomXYZ.c:1184 ../src/Geometry/GeomZmatrix.c:1472 3836msgid "Sorry The layer should be High, Medium, Low or one space \n" 3837msgstr "" 3838 3839#: ../src/Geometry/GeomXYZ.c:1531 ../src/Geometry/GeomXYZ.c:1582 3840#: ../src/Geometry/GeomXYZ.c:1678 ../src/Geometry/GeomXYZ.c:3339 3841#: ../src/Geometry/GeomXYZ.c:3552 ../src/Geometry/GeomXYZ.c:4249 3842#: ../src/Geometry/GeomXYZ.c:10118 ../src/Geometry/GeomZmatrix.c:2011 3843#: ../src/Geometry/GeomZmatrix.c:2233 3844#, c-format 3845msgid "" 3846"Sorry,\n" 3847" I can not open %s file" 3848msgstr "" 3849 3850#: ../src/Geometry/GeomXYZ.c:2085 ../src/Geometry/GeomXYZ.c:2141 3851#: ../src/Geometry/GeomXYZ.c:11224 ../src/Geometry/GeomZmatrix.c:2350 3852#: ../src/Geometry/GeomZmatrix.c:2650 ../src/Geometry/GeomZmatrix.c:2892 3853msgid " Sorry No Center !" 3854msgstr "" 3855 3856#: ../src/Geometry/GeomXYZ.c:2090 ../src/Geometry/GeomZmatrix.c:2655 3857msgid "Tansform all constants in Variables" 3858msgstr "" 3859 3860#: ../src/Geometry/GeomXYZ.c:2095 ../src/Geometry/GeomXYZ.c:2099 3861#: ../src/Geometry/GeomXYZ.c:2151 ../src/Geometry/GeomXYZ.c:2155 3862#: ../src/Geometry/GeomZmatrix.c:2660 ../src/Geometry/GeomZmatrix.c:2665 3863#: ../src/Geometry/GeomZmatrix.c:2902 ../src/Geometry/GeomZmatrix.c:2907 3864#: ../src/Geometry/GeomZmatrix.c:3878 ../src/Geometry/GeomZmatrix.c:3896 3865msgid " Question " 3866msgstr "" 3867 3868#: ../src/Geometry/GeomXYZ.c:2099 ../src/Geometry/GeomZmatrix.c:2665 3869msgid "" 3870"\n" 3871"Are you sure to transform\n" 3872" all constants in variables? \n" 3873msgstr "" 3874 3875#: ../src/Geometry/GeomXYZ.c:2155 3876msgid "" 3877"\n" 3878"Are you sure to transform\n" 3879"all variables in constants? \n" 3880msgstr "" 3881 3882#: ../src/Geometry/GeomXYZ.c:2193 ../src/Geometry/GeomXYZ.c:2578 3883#: ../src/Geometry/GeomZmatrix.c:2703 ../src/Geometry/GeomZmatrix.c:3436 3884msgid "Sorry No line selected" 3885msgstr "" 3886 3887#: ../src/Geometry/GeomXYZ.c:2246 3888msgid "" 3889"Sorry\n" 3890" No variable selected" 3891msgstr "" 3892 3893#: ../src/Geometry/GeomXYZ.c:2409 ../src/Geometry/GeomXYZ.c:11503 3894#: ../src/Geometry/GeomXYZ.c:11689 ../src/Geometry/GeomZmatrix.c:3120 3895#: ../src/Geometry/GeomZmatrix.c:3152 ../src/Geometry/GeomZmatrix.c:3184 3896#: ../src/Geometry/GeomZmatrix.c:3324 ../src/Geometry/GeomZmatrix.c:3359 3897#: ../src/Geometry/GeomZmatrix.c:3394 ../src/Geometry/GeomZmatrix.c:6632 3898#: ../src/Geometry/GeomZmatrix.c:6818 3899msgid "Sorry a Entry text is void !\n" 3900msgstr "" 3901 3902#: ../src/Geometry/GeomXYZ.c:2502 3903msgid "" 3904"Sorry\n" 3905" a entry is void " 3906msgstr "" 3907 3908#: ../src/Geometry/GeomXYZ.c:2638 3909msgid "New Center" 3910msgstr "" 3911 3912#: ../src/Geometry/GeomXYZ.c:2642 3913msgid " New Center " 3914msgstr "" 3915 3916#: ../src/Geometry/GeomXYZ.c:2811 ../src/Geometry/GeomZmatrix.c:3694 3917msgid "Create center before \n" 3918msgstr "" 3919 3920#: ../src/Geometry/GeomXYZ.c:2818 3921msgid "Edit Center" 3922msgstr "" 3923 3924#: ../src/Geometry/GeomXYZ.c:2822 ../src/Geometry/GeomZmatrix.c:3712 3925msgid " Edit Center " 3926msgstr "" 3927 3928#: ../src/Geometry/GeomXYZ.c:2960 3929msgid " No Center to delete !" 3930msgstr "" 3931 3932#: ../src/Geometry/GeomXYZ.c:2965 ../src/Geometry/GeomZmatrix.c:3873 3933msgid "Delete Center" 3934msgstr "" 3935 3936#: ../src/Geometry/GeomXYZ.c:2970 3937msgid " Delete Center " 3938msgstr "" 3939 3940#: ../src/Geometry/GeomXYZ.c:2974 3941msgid "" 3942"\n" 3943"Are you sure to delete \n" 3944"the last center?\n" 3945msgstr "" 3946 3947#: ../src/Geometry/GeomXYZ.c:3156 ../src/Geometry/GeomXYZ.c:4015 3948#: ../src/Geometry/GeomXYZ.c:7447 ../src/Geometry/GeomXYZ.c:7588 3949#: ../src/Geometry/GeomXYZ.c:9834 ../src/Geometry/GeomZmatrix.c:5281 3950#: ../src/Geometry/GeomZmatrix.c:5420 ../src/Geometry/GeomZmatrix.c:5552 3951#: ../src/Geometry/GeomZmatrix.c:6269 3952#, c-format 3953msgid "" 3954"Sorry\n" 3955" I can not open \"%s\" file" 3956msgstr "" 3957 3958#: ../src/Geometry/GeomXYZ.c:3166 ../src/Geometry/GeomXYZ.c:4125 3959#, c-format 3960msgid "" 3961"Sorry\n" 3962" I can read \"%s\" file" 3963msgstr "" 3964 3965#: ../src/Geometry/GeomXYZ.c:3288 ../src/Geometry/GeomXYZ.c:3415 3966#: ../src/Geometry/GeomXYZ.c:5146 ../src/Geometry/GeomXYZ.c:5161 3967#: ../src/Geometry/GeomXYZ.c:5408 ../src/Geometry/GeomXYZ.c:5423 3968#: ../src/Geometry/GeomXYZ.c:5865 ../src/Geometry/GeomXYZ.c:5880 3969#: ../src/Geometry/GeomXYZ.c:5895 ../src/Geometry/GeomXYZ.c:6335 3970#: ../src/Geometry/GeomXYZ.c:6497 ../src/Geometry/GeomXYZ.c:6638 3971#: ../src/Geometry/GeomXYZ.c:6778 ../src/Geometry/GeomXYZ.c:6895 3972#: ../src/Geometry/GeomXYZ.c:8117 ../src/Geometry/GeomXYZ.c:8133 3973#: ../src/Geometry/GeomXYZ.c:8149 ../src/Geometry/GeomXYZ.c:8165 3974#: ../src/Geometry/GeomXYZ.c:8181 ../src/Geometry/GeomXYZ.c:8197 3975#: ../src/Geometry/GeomXYZ.c:8213 ../src/Geometry/GeomXYZ.c:8240 3976#: ../src/Geometry/GeomXYZ.c:8352 ../src/Geometry/GeomXYZ.c:10596 3977#: ../src/Geometry/GeomXYZ.c:10633 ../src/Geometry/GeomXYZ.c:10673 3978#: ../src/Geometry/GeomXYZ.c:10712 ../src/Geometry/GeomXYZ.c:10758 3979#: ../src/Geometry/GeomZmatrix.c:5916 ../src/Geometry/GeomZmatrix.c:6410 3980#: ../src/Geometry/InterfaceGeom.c:61 ../src/Geometry/InterfaceGeom.c:75 3981#: ../src/Geometry/InterfaceGeom.c:89 ../src/Geometry/InterfaceGeom.c:104 3982#: ../src/Geometry/InterfaceGeom.c:118 ../src/Geometry/p.c:19 3983#: ../src/OpenGL/AnimationGeomConv.c:827 ../src/OpenGL/AnimationGeomConv.c:931 3984#: ../src/OpenGL/AnimationGeomConv.c:1181 3985#: ../src/OpenGL/AnimationGeomConv.c:1473 3986#: ../src/OpenGL/AnimationGeomConv.c:1513 3987#: ../src/OpenGL/AnimationGeomConv.c:1767 3988#: ../src/OpenGL/AnimationGeomConv.c:1897 ../src/OpenGL/AnimationMD.c:845 3989#: ../src/OpenGL/GeomOrbXYZ.c:1382 ../src/OpenGL/GeomOrbXYZ.c:1707 3990#: ../src/OpenGL/GeomOrbXYZ.c:2055 ../src/OpenGL/GeomOrbXYZ.c:2182 3991#: ../src/OpenGL/GeomOrbXYZ.c:2442 ../src/OpenGL/OrbitalsGamess.c:112 3992#: ../src/OpenGL/OrbitalsOrca.c:322 ../src/OpenGL/OrbitalsQChem.c:112 3993#: ../src/OpenGL/Vibration.c:3342 ../src/OpenGL/Vibration.c:3386 3994msgid "" 3995"Sorry\n" 3996" No file selected" 3997msgstr "" 3998 3999#: ../src/Geometry/GeomXYZ.c:3346 4000#, c-format 4001msgid "" 4002"Sorry,\n" 4003" No geometry in %s file" 4004msgstr "" 4005 4006#: ../src/Geometry/GeomXYZ.c:4609 ../src/OpenGL/AnimationGeomConv.c:737 4007#: ../src/OpenGL/AnimationGeomConv.c:2324 ../src/OpenGL/GeomOrbXYZ.c:295 4008#, c-format 4009msgid "" 4010"Sorry\n" 4011"Molden file with ZMAT coordinate is not supported by Gabedit" 4012msgstr "" 4013 4014#: ../src/Geometry/GeomXYZ.c:4611 ../src/OpenGL/AnimationGeomConv.c:739 4015#: ../src/OpenGL/AnimationGeomConv.c:2325 ../src/OpenGL/GeomOrbXYZ.c:297 4016#, c-format 4017msgid "" 4018"Sorry\n" 4019"Gabedit file with ZMAT coordinate is not supported by Gabedit" 4020msgstr "" 4021 4022#: ../src/Geometry/GeomXYZ.c:4749 ../src/Geometry/GeomXYZ.c:4977 4023#: ../src/Geometry/GeomXYZ.c:5188 ../src/Geometry/GeomXYZ.c:5210 4024#: ../src/Geometry/GeomXYZ.c:5304 ../src/Geometry/GeomXYZ.c:5326 4025#: ../src/Geometry/GeomXYZ.c:5450 ../src/Geometry/GeomXYZ.c:5473 4026#: ../src/Geometry/GeomXYZ.c:5604 ../src/Geometry/GeomXYZ.c:5634 4027#: ../src/Geometry/GeomXYZ.c:5751 ../src/Geometry/GeomXYZ.c:5771 4028#: ../src/Geometry/GeomXYZ.c:5917 ../src/Geometry/GeomXYZ.c:6032 4029#: ../src/Geometry/GeomXYZ.c:6203 ../src/Geometry/GeomXYZ.c:6229 4030#: ../src/Geometry/GeomXYZ.c:7081 ../src/Geometry/GeomXYZ.c:7310 4031#: ../src/Geometry/GeomXYZ.c:7808 ../src/Geometry/GeomXYZ.c:8005 4032#: ../src/OpenGL/AnimationGeomConv.c:720 ../src/OpenGL/GeomOrbXYZ.c:277 4033#: ../src/OpenGL/GeomOrbXYZ.c:392 ../src/OpenGL/GeomOrbXYZ.c:2684 4034#, c-format 4035msgid "" 4036"Sorry\n" 4037"I can not open %s file " 4038msgstr "" 4039 4040#: ../src/Geometry/GeomXYZ.c:5022 ../src/Geometry/GeomXYZ.c:5040 4041#: ../src/OpenGL/AnimationGeomConv.c:1665 4042#: ../src/OpenGL/AnimationGeomConv.c:1683 ../src/OpenGL/GeomOrbXYZ.c:1957 4043#: ../src/OpenGL/GeomOrbXYZ.c:1975 4044#, c-format 4045msgid "" 4046"Sorry\n" 4047"I can read Geometry from %s file " 4048msgstr "" 4049 4050#: ../src/Geometry/GeomXYZ.c:5939 4051#, c-format 4052msgid "" 4053"Sorry\n" 4054" I can not read geometry number %d for %s file" 4055msgstr "" 4056 4057#: ../src/Geometry/GeomXYZ.c:6096 4058#, c-format 4059msgid "" 4060"Sorry\n" 4061"I can not read geometry in %s file " 4062msgstr "" 4063 4064#: ../src/Geometry/GeomXYZ.c:6343 ../src/Geometry/GeomXYZ.c:6505 4065#: ../src/Geometry/GeomXYZ.c:6644 ../src/Geometry/GeomXYZ.c:6785 4066#: ../src/Geometry/GeomXYZ.c:6903 ../src/Geometry/GeomXYZ.c:8247 4067#: ../src/Geometry/GeomXYZ.c:8360 ../src/Geometry/p.c:25 4068#: ../src/OpenGL/AnimationGeomConv.c:834 ../src/OpenGL/AnimationGeomConv.c:938 4069#: ../src/OpenGL/AnimationGeomConv.c:1188 4070#: ../src/OpenGL/AnimationGeomConv.c:1479 4071#: ../src/OpenGL/AnimationGeomConv.c:1520 4072#: ../src/OpenGL/AnimationGeomConv.c:1620 4073#: ../src/OpenGL/AnimationGeomConv.c:1774 4074#: ../src/OpenGL/AnimationGeomConv.c:1904 ../src/OpenGL/AnimationMD.c:851 4075#: ../src/OpenGL/Basis.c:1117 ../src/OpenGL/GeomOrbXYZ.c:1121 4076#: ../src/OpenGL/GeomOrbXYZ.c:1272 ../src/OpenGL/GeomOrbXYZ.c:1391 4077#: ../src/OpenGL/GeomOrbXYZ.c:1722 ../src/OpenGL/GeomOrbXYZ.c:2064 4078#: ../src/OpenGL/GeomOrbXYZ.c:2192 ../src/OpenGL/GeomOrbXYZ.c:2448 4079#: ../src/OpenGL/GeomOrbXYZ.c:2483 ../src/OpenGL/Orbitals.c:2002 4080#: ../src/OpenGL/OrbitalsDalton.c:102 ../src/OpenGL/OrbitalsGamess.c:121 4081#: ../src/OpenGL/OrbitalsQChem.c:121 4082msgid "" 4083"Sorry\n" 4084"I can not open this file" 4085msgstr "" 4086 4087#: ../src/Geometry/GeomXYZ.c:6388 ../src/Geometry/GeomXYZ.c:6547 4088#: ../src/Geometry/GeomXYZ.c:6806 ../src/Geometry/GeomXYZ.c:6923 4089#: ../src/Geometry/GeomXYZ.c:8265 ../src/Geometry/GeomXYZ.c:8376 4090#: ../src/Geometry/p.c:34 ../src/Geometry/p.c:43 ../src/Geometry/p.c:50 4091msgid "" 4092"Sorry\n" 4093"I can not read this file" 4094msgstr "" 4095 4096#: ../src/Geometry/GeomXYZ.c:6651 4097msgid "" 4098"Sorry\n" 4099"I can not the multiplicity from this file" 4100msgstr "" 4101 4102#: ../src/Geometry/GeomXYZ.c:6658 ../src/OpenGL/GeomOrbXYZ.c:2490 4103msgid "" 4104"Sorry\n" 4105"I can not the number of atoms from this file" 4106msgstr "" 4107 4108#: ../src/Geometry/GeomXYZ.c:6667 ../src/OpenGL/GeomOrbXYZ.c:2496 4109#: ../src/OpenGL/GeomOrbXYZ.c:2566 4110msgid "" 4111"Sorry\n" 4112"I can not read the atomic numbers from this file" 4113msgstr "" 4114 4115#: ../src/Geometry/GeomXYZ.c:6674 ../src/OpenGL/GeomOrbXYZ.c:2502 4116msgid "" 4117"Sorry\n" 4118"I can not read the current cartesian coordinates from this file" 4119msgstr "" 4120 4121#: ../src/Geometry/GeomXYZ.c:7115 ../src/Geometry/GeomXYZ.c:7345 4122#: ../src/Geometry/GeomXYZ.c:7850 ../src/Geometry/GeomXYZ.c:8039 4123#, c-format 4124msgid "" 4125"Sorry\n" 4126"I can not read geometry in\t%s file " 4127msgstr "" 4128 4129#: ../src/Geometry/GeomXYZ.c:7481 ../src/Geometry/GeomXYZ.c:7620 4130#: ../src/Geometry/GeomZmatrix.c:5299 ../src/Geometry/GeomZmatrix.c:5457 4131#: ../src/Geometry/GeomZmatrix.c:5584 4132#, c-format 4133msgid "" 4134"Sorry\n" 4135" I can not read geometry from \"%s\" file" 4136msgstr "" 4137 4138#: ../src/Geometry/GeomXYZ.c:7538 ../src/Geometry/GeomXYZ.c:7707 4139#: ../src/Geometry/GeomXYZ.c:9641 4140msgid "" 4141"Sorry\n" 4142" I can not read geometry in Mopac input file" 4143msgstr "" 4144 4145#: ../src/Geometry/GeomXYZ.c:7820 4146#, c-format 4147msgid "" 4148"Sorry\n" 4149"I can not read the atom symbols in %s file " 4150msgstr "" 4151 4152#: ../src/Geometry/GeomXYZ.c:8586 4153msgid "" 4154"Sorry\n" 4155" I can not read geometry from your Gamess input file" 4156msgstr "" 4157 4158#: ../src/Geometry/GeomXYZ.c:8713 4159msgid "" 4160"Sorry\n" 4161" I can not read geometry from your MPQC input file" 4162msgstr "" 4163 4164#: ../src/Geometry/GeomXYZ.c:8772 4165msgid "" 4166"Sorry\n" 4167" i can not read XYZ geometry in molpro input file" 4168msgstr "" 4169 4170#: ../src/Geometry/GeomXYZ.c:8891 ../src/Geometry/GeomZmatrix.c:4478 4171msgid "" 4172"Sorry\n" 4173" I can not read geometry in Molpro input file" 4174msgstr "" 4175 4176#: ../src/Geometry/GeomXYZ.c:9067 ../src/Geometry/GeomZmatrix.c:4715 4177msgid "" 4178"Sorry\n" 4179" I can not read geometry in Gaussian input file" 4180msgstr "" 4181 4182#: ../src/Geometry/GeomXYZ.c:9119 ../src/Geometry/GeomXYZ.c:9246 4183#: ../src/Geometry/GeomZmatrix.c:4766 4184msgid "" 4185"Sorry\n" 4186" I can not read geometry in Orca input file" 4187msgstr "" 4188 4189#: ../src/Geometry/GeomXYZ.c:9433 4190msgid "" 4191"Sorry\n" 4192" I can not read geometry in QChem input file" 4193msgstr "" 4194 4195#: ../src/Geometry/GeomXYZ.c:9863 4196#, c-format 4197msgid "" 4198"Sorry\n" 4199" \"%s\" is not at MOL2 format" 4200msgstr "" 4201 4202#: ../src/Geometry/GeomXYZ.c:9878 4203#, c-format 4204msgid "" 4205"Sorry\n" 4206" \"%s\" is not at Tinker format" 4207msgstr "" 4208 4209#: ../src/Geometry/GeomXYZ.c:10222 4210msgid "" 4211"Sorry\n" 4212" this is not a mol file" 4213msgstr "" 4214 4215#: ../src/Geometry/GeomXYZ.c:10273 4216msgid "" 4217"Sorry\n" 4218" I cannot read this file" 4219msgstr "" 4220 4221#: ../src/Geometry/GeomXYZ.c:10336 ../src/Geometry/GeomXYZ.c:10773 4222#: ../src/OpenGL/GeomOrbXYZ.c:497 4223msgid "" 4224"Sorry\n" 4225" this is not a XYZ file" 4226msgstr "" 4227 4228#: ../src/Geometry/GeomXYZ.c:10887 4229msgid "Read XYZ file" 4230msgstr "" 4231 4232#: ../src/Geometry/GeomXYZ.c:10891 4233msgid "Read Mol file" 4234msgstr "" 4235 4236#: ../src/Geometry/GeomXYZ.c:10895 4237msgid "Read the first geometry from a dalton output file" 4238msgstr "" 4239 4240#: ../src/Geometry/GeomXYZ.c:10899 4241msgid "Read the last geometry from a dalton output file" 4242msgstr "" 4243 4244#: ../src/Geometry/GeomXYZ.c:10904 4245msgid "Read the first geometry from a Gamess output file" 4246msgstr "" 4247 4248#: ../src/Geometry/GeomXYZ.c:10909 4249msgid "Read the last geometry from a Gamess output file" 4250msgstr "" 4251 4252#: ../src/Geometry/GeomXYZ.c:10913 4253msgid "Read the last geometry from a Gamess IRC file" 4254msgstr "" 4255 4256#: ../src/Geometry/GeomXYZ.c:10917 4257msgid "Read the first geometry from a gaussian output file" 4258msgstr "" 4259 4260#: ../src/Geometry/GeomXYZ.c:10921 4261msgid "Read the last geometry from a gaussian output file" 4262msgstr "" 4263 4264#: ../src/Geometry/GeomXYZ.c:10925 4265msgid "Read the geometry from a gaussian fchk file" 4266msgstr "" 4267 4268#: ../src/Geometry/GeomXYZ.c:10929 4269msgid "Read the first geometry from a molcas output file" 4270msgstr "" 4271 4272#: ../src/Geometry/GeomXYZ.c:10933 4273msgid "Read the last geometry from a molcas output file" 4274msgstr "" 4275 4276#: ../src/Geometry/GeomXYZ.c:10937 4277msgid "Read the first geometry from a molpro output file" 4278msgstr "" 4279 4280#: ../src/Geometry/GeomXYZ.c:10941 4281msgid "Read the last geometry from a molpro output file" 4282msgstr "" 4283 4284#: ../src/Geometry/GeomXYZ.c:10945 4285msgid "Read MOL2 file" 4286msgstr "" 4287 4288#: ../src/Geometry/GeomXYZ.c:10949 ../src/Geometry/InterfaceGeom.c:333 4289#: ../src/Geometry/InterfaceGeom.c:478 ../src/OpenGL/MenuToolBarGL.c:183 4290msgid "Read the first geometry from a MPQC output file" 4291msgstr "" 4292 4293#: ../src/Geometry/GeomXYZ.c:10953 ../src/Geometry/InterfaceGeom.c:336 4294#: ../src/Geometry/InterfaceGeom.c:480 ../src/OpenGL/MenuToolBarGL.c:185 4295msgid "Read the last geometry from a MPQC output file" 4296msgstr "" 4297 4298#: ../src/Geometry/GeomXYZ.c:10957 4299msgid "Read the first geometry from a ORCA-Chem output file" 4300msgstr "" 4301 4302#: ../src/Geometry/GeomXYZ.c:10961 4303msgid "Read the last geometry from a ORCA output file" 4304msgstr "" 4305 4306#: ../src/Geometry/GeomXYZ.c:10965 ../src/OpenGL/MenuToolBarGL.c:196 4307msgid "Read the first geometry from a Q-Chem output file" 4308msgstr "" 4309 4310#: ../src/Geometry/GeomXYZ.c:10969 ../src/OpenGL/MenuToolBarGL.c:198 4311msgid "Read the last geometry from a Q-Chem output file" 4312msgstr "" 4313 4314#: ../src/Geometry/GeomXYZ.c:10973 ../src/OpenGL/MenuToolBarGL.c:175 4315msgid "Read the first geometry from a Mopac output file" 4316msgstr "" 4317 4318#: ../src/Geometry/GeomXYZ.c:10977 ../src/OpenGL/MenuToolBarGL.c:177 4319msgid "Read the last geometry from a Mopac output file" 4320msgstr "" 4321 4322#: ../src/Geometry/GeomXYZ.c:10981 ../src/OpenGL/MenuToolBarGL.c:181 4323msgid "Read the last geometry from a Mopac aux file" 4324msgstr "" 4325 4326#: ../src/Geometry/GeomXYZ.c:10985 4327msgid "Read Tinker file" 4328msgstr "" 4329 4330#: ../src/Geometry/GeomXYZ.c:10989 4331msgid "Read pdb file" 4332msgstr "" 4333 4334#: ../src/Geometry/GeomXYZ.c:10993 4335msgid "Read hyperchem file" 4336msgstr "" 4337 4338#: ../src/Geometry/GeomXYZ.c:10997 4339msgid "Read Gabedit file" 4340msgstr "" 4341 4342#: ../src/Geometry/GeomXYZ.c:11001 4343msgid "Read geometries from a Mopac scan output" 4344msgstr "" 4345 4346#: ../src/Geometry/GeomXYZ.c:11236 4347msgid " Save XYZ " 4348msgstr "" 4349 4350#: ../src/Geometry/GeomXYZ.c:11439 ../src/Geometry/GeomXYZ.c:11551 4351#: ../src/Geometry/GeomZmatrix.c:6568 ../src/Geometry/GeomZmatrix.c:6680 4352#, c-format 4353msgid "" 4354"Sorry\n" 4355" %s \n" 4356" is used in Geometry" 4357msgstr "" 4358 4359#: ../src/Geometry/GeomXYZ.c:11544 4360msgid " No Variable to delet !" 4361msgstr "" 4362 4363#: ../src/Geometry/GeomXYZ.c:11610 ../src/Geometry/GeomZmatrix.c:6743 4364msgid "Create variable before \n" 4365msgstr "" 4366 4367#: ../src/Geometry/GeomXYZ.c:11612 ../src/Geometry/GeomZmatrix.c:6745 4368msgid "Please Select your variable \n" 4369msgstr "" 4370 4371#: ../src/Geometry/GeomXYZ.c:11616 ../src/Geometry/GeomZmatrix.c:6749 4372msgid "Edit Variable" 4373msgstr "" 4374 4375#: ../src/Geometry/GeomXYZ.c:11621 4376msgid " Edit Variable " 4377msgstr "" 4378 4379#: ../src/Geometry/GeomZmatrix.c:1145 4380msgid "Sorry : The distance can not be negative" 4381msgstr "" 4382 4383#: ../src/Geometry/GeomZmatrix.c:1152 4384msgid "Sorry : The distance can not be <0.01" 4385msgstr "" 4386 4387#: ../src/Geometry/GeomZmatrix.c:1192 4388#, c-format 4389msgid "" 4390"Sorry\n" 4391" %s \n" 4392"is not an integer " 4393msgstr "" 4394 4395#: ../src/Geometry/GeomZmatrix.c:1200 4396#, c-format 4397msgid "" 4398"Sorry\n" 4399" %s \n" 4400"is not an integer between 1 and %d" 4401msgstr "" 4402 4403#: ../src/Geometry/GeomZmatrix.c:1218 ../src/Geometry/GeomZmatrix.c:1273 4404#, c-format 4405msgid "" 4406"Because a multiple references to a center on the same card\n" 4407"I set NA to %d\n" 4408msgstr "" 4409 4410#: ../src/Geometry/GeomZmatrix.c:1229 4411#, c-format 4412msgid "" 4413"Because a multiple references to a center on the same card\n" 4414"I set ND to %d\n" 4415msgstr "" 4416 4417#: ../src/Geometry/GeomZmatrix.c:1247 ../src/Geometry/GeomZmatrix.c:1284 4418#, c-format 4419msgid "" 4420"Because a multiple references to a center on the same card\n" 4421"I set NR to %d\n" 4422msgstr "" 4423 4424#: ../src/Geometry/GeomZmatrix.c:2805 4425msgid "Sorry No Variable selected" 4426msgstr "" 4427 4428#: ../src/Geometry/GeomZmatrix.c:2897 4429msgid "Tansform all variables to constants" 4430msgstr "" 4431 4432#: ../src/Geometry/GeomZmatrix.c:2907 4433msgid "" 4434"\n" 4435" Are you sure to transform\n" 4436" all variables to constants? \n" 4437msgstr "" 4438 4439#: ../src/Geometry/GeomZmatrix.c:3708 4440msgid " Edit center" 4441msgstr "" 4442 4443#: ../src/Geometry/GeomZmatrix.c:3868 4444msgid " No Center to delet !" 4445msgstr "" 4446 4447#: ../src/Geometry/GeomZmatrix.c:3868 4448msgid " Warning " 4449msgstr "" 4450 4451#: ../src/Geometry/GeomZmatrix.c:3896 4452msgid "" 4453"\n" 4454"Are you sure to delete \n" 4455"the last center? \n" 4456msgstr "" 4457 4458#: ../src/Geometry/GeomZmatrix.c:4037 ../src/Utils/GabeditContoursPlot.c:2434 4459#: ../src/Utils/GabeditXYPlot.c:3123 ../src/Utils/GabeditXYPlot.c:3436 4460#, c-format 4461msgid "Sorry, I cannot open %s file" 4462msgstr "" 4463 4464#: ../src/Geometry/GeomZmatrix.c:4059 4465#, c-format 4466msgid "Sorry, I cannot read the Z-Matrix from the %s file" 4467msgstr "" 4468 4469#: ../src/Geometry/GeomZmatrix.c:4205 4470msgid "" 4471"Sorry\n" 4472" I can not read geometry from you Molcas input file" 4473msgstr "" 4474 4475#: ../src/Geometry/GeomZmatrix.c:4969 ../src/Geometry/GeomZmatrix.c:5212 4476msgid "" 4477"Sorry\n" 4478" I can not read geometry in Q-Chem input file" 4479msgstr "" 4480 4481#: ../src/Geometry/GeomZmatrix.c:5306 ../src/Geometry/GeomZmatrix.c:5592 4482msgid "" 4483"Sorry\n" 4484" I can not read geometry from this file" 4485msgstr "" 4486 4487#: ../src/Geometry/GeomZmatrix.c:5355 ../src/Geometry/GeomZmatrix.c:5515 4488#: ../src/Geometry/GeomZmatrix.c:5647 ../src/Geometry/GeomZmatrix.c:6295 4489#: ../src/Geometry/GeomZmatrix.c:6343 4490msgid "" 4491"Sorry\n" 4492" This is not a Zmatrix mopac file" 4493msgstr "" 4494 4495#: ../src/Geometry/GeomZmatrix.c:5725 ../src/Geometry/GeomZmatrix.c:5752 4496#: ../src/Geometry/GeomZmatrix.c:5782 ../src/Geometry/GeomZmatrix.c:5852 4497#: ../src/Geometry/GeomZmatrix.c:5960 ../src/Geometry/GeomZmatrix.c:5988 4498#: ../src/Geometry/GeomZmatrix.c:6018 ../src/Geometry/GeomZmatrix.c:6088 4499msgid "" 4500"Sorry\n" 4501" This is not a Zmatrix file" 4502msgstr "" 4503 4504#: ../src/Geometry/GeomZmatrix.c:6288 4505#, c-format 4506msgid "" 4507"Sorry\n" 4508" I can not read \"%s\" file" 4509msgstr "" 4510 4511#: ../src/Geometry/GeomZmatrix.c:6673 4512msgid " No Variable to delete !" 4513msgstr "" 4514 4515#: ../src/Geometry/GeomZmatrix.c:6753 4516msgid " Edit variable " 4517msgstr "" 4518 4519#: ../src/Geometry/ImagesGeom.c:58 4520msgid "" 4521"Sorry I can not create image file \n" 4522"because Geometry display windows is closed" 4523msgstr "" 4524 4525#: ../src/Geometry/ImagesGeom.c:81 ../src/OpenGL/Images.c:167 4526#: ../src/OpenGL/Images.c:271 ../src/OpenGL/Images.c:443 4527#, c-format 4528msgid "Sorry: couldn't allocate memory\n" 4529msgstr "" 4530 4531#: ../src/Geometry/ImagesGeom.c:143 4532msgid "Unknown visual\n" 4533msgstr "" 4534 4535#: ../src/Geometry/ImagesGeom.c:184 ../src/Geometry/ImagesGeom.c:260 4536#: ../src/Geometry/ImagesGeom.c:410 ../src/OpenGL/Images.c:457 4537msgid "Sorry: can't open output file\n" 4538msgstr "" 4539 4540#: ../src/Geometry/InterfaceGeom.c:138 ../src/Geometry/InterfaceGeom.c:175 4541#: ../src/Geometry/MenuToolBarGeom.c:395 4542msgid "Read Geometry from a Mopac input file" 4543msgstr "" 4544 4545#: ../src/Geometry/InterfaceGeom.c:212 4546msgid " XYZ Editor " 4547msgstr "" 4548 4549#: ../src/Geometry/InterfaceGeom.c:223 ../src/Geometry/InterfaceGeom.c:269 4550msgid " VARIABLES Editor " 4551msgstr "" 4552 4553#: ../src/Geometry/InterfaceGeom.c:257 4554msgid " Z-MATRIX Editor " 4555msgstr "" 4556 4557#: ../src/Geometry/InterfaceGeom.c:288 ../src/Geometry/InterfaceGeom.c:395 4558msgid "New Z-Matrix geometry" 4559msgstr "" 4560 4561#: ../src/Geometry/InterfaceGeom.c:291 ../src/Geometry/InterfaceGeom.c:417 4562msgid "Read Geometry from a Gaussian Z-Matrix file" 4563msgstr "" 4564 4565#: ../src/Geometry/InterfaceGeom.c:294 4566msgid "Read Geometry from a Mopac Z-Matrix file" 4567msgstr "" 4568 4569#: ../src/Geometry/InterfaceGeom.c:297 ../src/Geometry/InterfaceGeom.c:397 4570msgid "New XYZ geometry" 4571msgstr "" 4572 4573#: ../src/Geometry/InterfaceGeom.c:300 ../src/Geometry/InterfaceGeom.c:406 4574msgid "Read Geometry from a XYZ file" 4575msgstr "" 4576 4577#: ../src/Geometry/InterfaceGeom.c:303 ../src/Geometry/InterfaceGeom.c:408 4578msgid "Read Geometry from a MOL2 file" 4579msgstr "" 4580 4581#: ../src/Geometry/InterfaceGeom.c:306 ../src/Geometry/InterfaceGeom.c:410 4582msgid "Read Geometry from a Tinker file" 4583msgstr "" 4584 4585#: ../src/Geometry/InterfaceGeom.c:309 ../src/Geometry/InterfaceGeom.c:412 4586msgid "Read Geometry from a PDB file" 4587msgstr "" 4588 4589#: ../src/Geometry/InterfaceGeom.c:312 ../src/Geometry/InterfaceGeom.c:414 4590msgid "Read Geometry from a Hyperchem file" 4591msgstr "" 4592 4593#: ../src/Geometry/InterfaceGeom.c:315 ../src/Geometry/InterfaceGeom.c:426 4594msgid "Read the first geometry from a Dalton output file" 4595msgstr "" 4596 4597#: ../src/Geometry/InterfaceGeom.c:318 ../src/Geometry/InterfaceGeom.c:428 4598msgid "Read the last geometry from a Dalton output file" 4599msgstr "" 4600 4601#: ../src/Geometry/InterfaceGeom.c:321 ../src/Geometry/InterfaceGeom.c:452 4602msgid "Read the first geometry from a Molcas output file" 4603msgstr "" 4604 4605#: ../src/Geometry/InterfaceGeom.c:324 ../src/Geometry/InterfaceGeom.c:454 4606msgid "Read the last geometry from a Molcas output file" 4607msgstr "" 4608 4609#: ../src/Geometry/InterfaceGeom.c:327 ../src/Geometry/InterfaceGeom.c:465 4610msgid "Read the first geometry from a Molpro output file" 4611msgstr "" 4612 4613#: ../src/Geometry/InterfaceGeom.c:330 ../src/Geometry/InterfaceGeom.c:467 4614msgid "Read the last geometry from a Molpro output file" 4615msgstr "" 4616 4617#: ../src/Geometry/InterfaceGeom.c:339 ../src/Geometry/InterfaceGeom.c:439 4618msgid "Read the first geometry from a Gaussian output file" 4619msgstr "" 4620 4621#: ../src/Geometry/InterfaceGeom.c:342 ../src/Geometry/InterfaceGeom.c:441 4622msgid "Read the last geometry from a Gaussian output file" 4623msgstr "" 4624 4625#: ../src/Geometry/InterfaceGeom.c:393 4626msgid "Select a option" 4627msgstr "" 4628 4629#: ../src/Geometry/InterfaceGeom.c:495 4630msgid " Units : " 4631msgstr "" 4632 4633#: ../src/Geometry/InterfaceGeom.c:550 4634msgid "Geometry Editor" 4635msgstr "" 4636 4637#: ../src/Geometry/InterfaceGeom.c:553 4638msgid " Geometry Editor " 4639msgstr "" 4640 4641#: ../src/Geometry/InterfaceGeom.c:596 ../src/Geometry/InterfaceGeom.c:620 4642#: ../src/Geometry/InterfaceGeom.c:629 4643msgid "Angstrom" 4644msgstr "" 4645 4646#: ../src/Geometry/InterfaceGeom.c:597 ../src/Geometry/InterfaceGeom.c:622 4647#: ../src/Geometry/InterfaceGeom.c:627 4648msgid "Bohr" 4649msgstr "" 4650 4651#: ../src/Geometry/InterfaceGeom.c:687 4652msgid "Sorry, I cannot read this file\n" 4653msgstr "" 4654 4655#: ../src/Geometry/InterfaceGeom.c:695 ../src/OpenGL/AnimationMD.c:1860 4656msgid "Read geometries" 4657msgstr "" 4658 4659#: ../src/Geometry/Measure.c:743 4660msgid "Distances (Angstroms)" 4661msgstr "" 4662 4663#: ../src/Geometry/Measure.c:764 4664msgid "Angles (Degrees)" 4665msgstr "" 4666 4667#: ../src/Geometry/Measure.c:786 4668msgid "Dihedral (Degrees)" 4669msgstr "" 4670 4671#: ../src/Geometry/Measure.c:806 4672msgid "Move group" 4673msgstr "" 4674 4675#: ../src/Geometry/Measure.c:817 4676msgid "Averaged distance (Angstroms)" 4677msgstr "" 4678 4679#: ../src/Geometry/MenuToolBarGeom.c:400 4680msgid "Read Geomtries From Mopac Scan Output file" 4681msgstr "" 4682 4683#: ../src/Geometry/MenuToolBarGeom.c:402 4684msgid "Read Geomtries From Mopac IRC Output file" 4685msgstr "" 4686 4687#: ../src/Geometry/MenuToolBarGeom.c:418 4688msgid "Load Geom. Conv. From FireFly Output file" 4689msgstr "" 4690 4691#: ../src/Geometry/MenuToolBarGeom.c:420 4692msgid "Load Geom. From Gamess IRC file" 4693msgstr "" 4694 4695#: ../src/Geometry/MenuToolBarGeom.c:422 4696msgid "Load Geom. From FireFly IRC file" 4697msgstr "" 4698 4699#: ../src/Geometry/MenuToolBarGeom.c:428 4700msgid "Load Geom. Conv. From Molpac aux file" 4701msgstr "" 4702 4703#: ../src/Geometry/MenuToolBarGeom.c:432 4704msgid "Load Geom. Conv. From ORCA output file" 4705msgstr "" 4706 4707#: ../src/Geometry/MenuToolBarGeom.c:435 4708msgid "Load Geom. Conv. From Q-Chem output file" 4709msgstr "" 4710 4711#: ../src/Geometry/MenuToolBarGeom.c:572 4712msgid "Save geometry in Gabedit file" 4713msgstr "" 4714 4715#: ../src/Geometry/MenuToolBarGeom.c:708 ../src/OpenGL/MenuToolBarGL.c:679 4716#: ../src/OpenGL/MenuToolBarGL.c:689 4717msgid "Save image in png file format" 4718msgstr "" 4719 4720#: ../src/Geometry/MenuToolBarGeom.c:713 ../src/OpenGL/MenuToolBarGL.c:684 4721msgid "Save image in tif file format" 4722msgstr "" 4723 4724#: ../src/Geometry/MenuToolBarGeom.c:1762 4725#, c-format 4726msgid "Error menu is not a menu\n" 4727msgstr "" 4728 4729#: ../src/Geometry/OpenBabel.c:638 4730msgid "Input File" 4731msgstr "" 4732 4733#: ../src/Geometry/OpenBabel.c:657 4734msgid "Convert" 4735msgstr "" 4736 4737#: ../src/Geometry/OpenBabel.c:664 4738msgid "Center " 4739msgstr "" 4740 4741#: ../src/Geometry/OpenBabel.c:672 4742msgid "H atoms" 4743msgstr "" 4744 4745#: ../src/Geometry/OpenBabel.c:678 4746msgid "Add " 4747msgstr "" 4748 4749#: ../src/Geometry/OpenBabel.c:684 4750msgid "Delete" 4751msgstr "" 4752 4753#: ../src/Geometry/OpenBabel.c:709 4754msgid "Outpout File" 4755msgstr "" 4756 4757#: ../src/Geometry/OpenBabel.c:845 4758msgid "Read geometry (using Open Babel)" 4759msgstr "" 4760 4761#: ../src/Geometry/OpenBabel.c:846 4762msgid "Save geometry (using Open Babel)" 4763msgstr "" 4764 4765#: ../src/Geometry/OpenBabel.c:853 4766msgid " Read geometry with Open Babel " 4767msgstr "" 4768 4769#: ../src/Geometry/OpenBabel.c:854 4770msgid " Save geometry using Open Babel " 4771msgstr "" 4772 4773#: ../src/Geometry/PersonalFragments.c:206 4774#, c-format 4775msgid "" 4776"Sorry, I can not add this group\n" 4777"%s is available." 4778msgstr "" 4779 4780#: ../src/Geometry/PersonalFragments.c:247 4781msgid "New Group" 4782msgstr "" 4783 4784#: ../src/Geometry/PersonalFragments.c:263 4785msgid "Group Name : " 4786msgstr "" 4787 4788#: ../src/Geometry/PersonalFragments.c:373 4789msgid "Sorry, no group to delete." 4790msgstr "" 4791 4792#: ../src/Geometry/PersonalFragments.c:381 4793msgid "Delete a Group" 4794msgstr "" 4795 4796#: ../src/Geometry/PersonalFragments.c:398 4797msgid "Group to delete : " 4798msgstr "" 4799 4800#: ../src/Geometry/PersonalFragments.c:466 4801msgid "Sorry, number of atom to delete can not = number of atom to bond to." 4802msgstr "" 4803 4804#: ../src/Geometry/PersonalFragments.c:476 4805msgid "" 4806"Sorry, number of atom to delete can not = number of atom used for set angle." 4807msgstr "" 4808 4809#: ../src/Geometry/PersonalFragments.c:488 4810msgid "" 4811"Sorry, number of atom to bond to can not = number of atom used for set " 4812"angle." 4813msgstr "" 4814 4815#: ../src/Geometry/PersonalFragments.c:588 4816#: ../src/Geometry/PersonalFragments.c:801 4817msgid "Sorry, no group available." 4818msgstr "" 4819 4820#: ../src/Geometry/PersonalFragments.c:598 4821msgid "Sorry, number of atoms = 0." 4822msgstr "" 4823 4824#: ../src/Geometry/PersonalFragments.c:607 4825msgid "New Fragment" 4826msgstr "" 4827 4828#: ../src/Geometry/PersonalFragments.c:626 4829msgid " Group Name " 4830msgstr "" 4831 4832#: ../src/Geometry/PersonalFragments.c:634 4833msgid " Fragment Name " 4834msgstr "" 4835 4836#: ../src/Geometry/PersonalFragments.c:642 4837msgid " Number of atoms to delete " 4838msgstr "" 4839 4840#: ../src/Geometry/PersonalFragments.c:650 4841msgid " Number of atoms to bond to " 4842msgstr "" 4843 4844#: ../src/Geometry/PersonalFragments.c:658 4845msgid " Number of atoms for set angle " 4846msgstr "" 4847 4848#: ../src/Geometry/PersonalFragments.c:814 4849msgid "Sorry, no fragment available." 4850msgstr "" 4851 4852#: ../src/Geometry/PersonalFragments.c:824 4853msgid "Remove a Fragment" 4854msgstr "" 4855 4856#: ../src/Geometry/PersonalFragments.c:840 4857msgid "Group Name : " 4858msgstr "" 4859 4860#: ../src/Geometry/PersonalFragments.c:846 4861msgid "Fragment to delete : " 4862msgstr "" 4863 4864#: ../src/Geometry/PersonalFragments.c:986 4865#, c-format 4866msgid "Sorry, I can not create \"%s\" file" 4867msgstr "" 4868 4869#: ../src/Geometry/PersonalFragments.c:1004 4870#, c-format 4871msgid "Sorry, I can not read \"%s\" file" 4872msgstr "" 4873 4874#: ../src/Geometry/Povray.c:909 4875msgid "" 4876"\n" 4877"Sorry, The number of atoms should be >0\n" 4878msgstr "" 4879 4880#: ../src/Geometry/Povray.c:938 ../src/Geometry/Povray.c:1110 4881#, c-format 4882msgid "" 4883"\n" 4884"Sorry, I cannot create the %s file\n" 4885msgstr "" 4886 4887#: ../src/Geometry/Povray.c:1099 4888#, c-format 4889msgid "" 4890"\n" 4891"2 files was created :\n" 4892" -\"%s\" a povray input file\n" 4893" -\"%s\" a batch file for run povray\n" 4894msgstr "" 4895 4896#: ../src/Geometry/ResultsAnalise.c:105 4897msgid " Energy(KCal/Mol) " 4898msgstr "" 4899 4900#: ../src/Geometry/ResultsAnalise.c:106 4901msgid " Gradient " 4902msgstr "" 4903 4904#: ../src/Geometry/ResultsAnalise.c:135 ../src/Geometry/ResultsAnalise.c:292 4905#: ../src/Geometry/ResultsAnalise.c:419 ../src/Geometry/ResultsAnalise.c:555 4906#: ../src/Geometry/ResultsAnalise.c:724 ../src/Geometry/ResultsAnalise.c:836 4907#: ../src/Geometry/ResultsAnalise.c:986 ../src/Geometry/ResultsAnalise.c:1109 4908#: ../src/Geometry/ResultsAnalise.c:1245 ../src/Geometry/ResultsAnalise.c:1342 4909#: ../src/Geometry/ResultsAnalise.c:1519 ../src/Geometry/ResultsAnalise.c:1664 4910#: ../src/Geometry/ResultsAnalise.c:1802 ../src/Geometry/ResultsAnalise.c:1923 4911#: ../src/Geometry/ResultsAnalise.c:2129 4912#: ../src/OpenGL/AnimationGeomConv.c:1037 4913#: ../src/OpenGL/AnimationGeomConv.c:1282 4914#: ../src/OpenGL/AnimationGeomConv.c:2585 4915#: ../src/OpenGL/AnimationGeomConv.c:2721 4916#: ../src/OpenGL/AnimationGeomConv.c:2867 4917#: ../src/OpenGL/AnimationGeomConv.c:3011 4918#: ../src/OpenGL/AnimationGeomConv.c:3155 4919#: ../src/OpenGL/AnimationGeomConv.c:3302 4920#: ../src/OpenGL/AnimationGeomConv.c:3451 4921#, c-format 4922msgid " Error : I can not open file %s\n" 4923msgstr "" 4924 4925#: ../src/Geometry/ResultsAnalise.c:518 ../src/Geometry/ResultsAnalise.c:783 4926#: ../src/Geometry/ResultsAnalise.c:806 ../src/Geometry/ResultsAnalise.c:954 4927#: ../src/Geometry/ResultsAnalise.c:1218 ../src/Geometry/ResultsAnalise.c:1465 4928#: ../src/Geometry/ResultsAnalise.c:1487 ../src/Geometry/ResultsAnalise.c:1630 4929msgid " Energy " 4930msgstr "" 4931 4932#: ../src/Geometry/ResultsAnalise.c:519 4933msgid " Max Gradient " 4934msgstr "" 4935 4936#: ../src/Geometry/ResultsAnalise.c:520 4937msgid " Max Displacement " 4938msgstr "" 4939 4940#: ../src/Geometry/ResultsAnalise.c:697 4941msgid "Geometries for an xyz file" 4942msgstr "" 4943 4944#: ../src/Geometry/ResultsAnalise.c:701 4945msgid " Geometry number " 4946msgstr "" 4947 4948#: ../src/Geometry/ResultsAnalise.c:784 ../src/Geometry/ResultsAnalise.c:1631 4949msgid " Force Max " 4950msgstr "" 4951 4952#: ../src/Geometry/ResultsAnalise.c:785 ../src/Geometry/ResultsAnalise.c:1632 4953msgid " Force RMS " 4954msgstr "" 4955 4956#: ../src/Geometry/ResultsAnalise.c:786 ../src/Geometry/ResultsAnalise.c:1467 4957#: ../src/Geometry/ResultsAnalise.c:1633 4958msgid " Dep. Max " 4959msgstr "" 4960 4961#: ../src/Geometry/ResultsAnalise.c:787 ../src/Geometry/ResultsAnalise.c:1634 4962msgid " Dep. RMS " 4963msgstr "" 4964 4965#: ../src/Geometry/ResultsAnalise.c:807 4966msgid " Convergence " 4967msgstr "" 4968 4969#: ../src/Geometry/ResultsAnalise.c:955 ../src/Geometry/ResultsAnalise.c:1489 4970msgid " MAX Gradient " 4971msgstr "" 4972 4973#: ../src/Geometry/ResultsAnalise.c:956 4974msgid " RMS Gradient " 4975msgstr "" 4976 4977#: ../src/Geometry/ResultsAnalise.c:1466 4978msgid " Gradient Max " 4979msgstr "" 4980 4981#: ../src/Geometry/ResultsAnalise.c:1488 4982msgid " RMS Gradient" 4983msgstr "" 4984 4985#: ../src/Geometry/ResultsAnalise.c:2606 4986msgid "Update" 4987msgstr "" 4988 4989#: ../src/Geometry/ResultsAnalise.c:2613 4990msgid "Go to end" 4991msgstr "" 4992 4993#: ../src/Geometry/ResultsAnalise.c:2619 4994msgid "Update/end" 4995msgstr "" 4996 4997#: ../src/Geometry/ResultsAnalise.c:2631 4998msgid "Dens. Orb." 4999msgstr "" 5000 5001#: ../src/Geometry/ResultsAnalise.c:2647 5002msgid "Password : " 5003msgstr "" 5004 5005#: ../src/Geometry/ResultsAnalise.c:2668 5006msgid "Get All files" 5007msgstr "" 5008 5009#: ../src/Geometry/ResultsAnalise.c:2678 5010msgid "Get log file" 5011msgstr "" 5012 5013#: ../src/Geometry/ResultsAnalise.c:2685 5014msgid "Get out file" 5015msgstr "" 5016 5017#: ../src/Geometry/ResultsAnalise.c:2693 5018msgid "Get aux. files" 5019msgstr "" 5020 5021#: ../src/Geometry/Symmetry.c:401 5022msgid "Inertie Moment/Rotational Constants" 5023msgstr "" 5024 5025#: ../src/Geometry/Symmetry.c:456 5026msgid "Dipole at principal axis" 5027msgstr "" 5028 5029#: ../src/Geometry/Symmetry.c:548 ../src/Molcas/MolcasGateWay.c:1536 5030#: ../src/Symmetry/MoleculeSymmetryInterface.c:167 5031#: ../src/Symmetry/MoleculeSymmetryInterface.c:282 5032msgid "Sorry Number of atoms is not positive" 5033msgstr "" 5034 5035#: ../src/Geometry/Symmetry.c:555 5036msgid "Geometry at principal axis" 5037msgstr "" 5038 5039#: ../src/IsotopeDistribution/IsotopeDistributionCalculator.c:261 5040#: ../src/IsotopeDistribution/IsotopeDistributionCalculator.c:275 5041#: ../src/IsotopeDistribution/IsotopeDistributionCalculator.c:286 5042msgid "No enough memory" 5043msgstr "" 5044 5045#: ../src/IsotopeDistribution/IsotopeDistributionCalculator.c:314 5046#: ../src/MolecularMechanics/MolecularMechanicsDlg.c:1306 5047#: ../src/MolecularMechanics/MolecularMechanicsDlg.c:1346 5048#: ../src/MolecularMechanics/MolecularMechanicsDlg.c:1358 5049#: ../src/MolecularMechanics/MolecularMechanicsDlg.c:1375 5050#: ../src/MolecularMechanics/MolecularMechanicsDlg.c:1395 5051#: ../src/MolecularMechanics/MolecularMechanicsDlg.c:1420 5052#: ../src/MolecularMechanics/MolecularMechanicsDlg.c:1648 5053#: ../src/MolecularMechanics/MolecularMechanicsDlg.c:1669 5054#: ../src/MolecularMechanics/MolecularMechanicsDlg.c:3360 5055#: ../src/MolecularMechanics/MolecularMechanicsDlg.c:3374 5056#: ../src/MolecularMechanics/MolecularMechanicsDlg.c:3388 5057#: ../src/MolecularMechanics/MolecularMechanicsDlg.c:3406 5058#: ../src/MolecularMechanics/MolecularMechanicsDlg.c:3459 5059#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:3537 5060msgid "Calculation canceled" 5061msgstr "" 5062 5063#: ../src/IsotopeDistribution/IsotopeDistributionCalculator.c:326 5064msgid "Number of elements can not been <1 !" 5065msgstr "" 5066 5067#: ../src/IsotopeDistribution/IsotopeDistributionCalculator.c:358 5068#: ../src/IsotopeDistribution/IsotopeDistributionCalculator.c:359 5069msgid "Formula not valid" 5070msgstr "" 5071 5072#: ../src/IsotopeDistribution/IsotopeDistributionCalculator.c:360 5073msgid "The first character of your formula is a lower case !" 5074msgstr "" 5075 5076#: ../src/IsotopeDistribution/IsotopeDistributionCalculator.c:361 5077msgid "The first character of your formula is a digit !" 5078msgstr "" 5079 5080#: ../src/IsotopeDistribution/IsotopeDistributionCalculator.c:438 5081msgid "Your formula is not valid !" 5082msgstr "" 5083 5084#: ../src/IsotopeDistribution/IsotopeDistributionCalculator.c:446 5085#, c-format 5086msgid "%s is not a known atom for Gabedit !" 5087msgstr "" 5088 5089#: ../src/IsotopeDistribution/IsotopeDistributionCalculatorDlg.c:464 5090#, c-format 5091msgid "" 5092"Sum of frac. abund -1 = \n" 5093" %0.8e\n" 5094msgstr "" 5095 5096#: ../src/IsotopeDistribution/IsotopeDistributionCalculatorDlg.c:532 5097msgid "Isotope distribution calculation" 5098msgstr "" 5099 5100#: ../src/IsotopeDistribution/IsotopeDistributionCalculatorDlg.c:549 5101msgid "Input" 5102msgstr "" 5103 5104#: ../src/IsotopeDistribution/IsotopeDistributionCalculatorDlg.c:590 5105msgid "Calculate" 5106msgstr "" 5107 5108#: ../src/IsotopeDistribution/IsotopeDistributionCalculatorDlg.c:646 5109msgid "Clear" 5110msgstr "" 5111 5112#: ../src/IsotopeDistribution/IsotopeDistributionCalculatorDlg.c:683 5113msgid "Add peaks" 5114msgstr "" 5115 5116#: ../src/IsotopeDistribution/IsotopeDistributionCalculatorDlg.c:693 5117msgid "Half-Width" 5118msgstr "" 5119 5120#: ../src/IsotopeDistribution/IsotopeDistributionCalculatorDlg.c:705 5121msgid "Add convoluted curve" 5122msgstr "" 5123 5124#: ../src/IsotopeDistribution/IsotopeDistributionCalculatorDlg.c:715 5125#: ../src/Spectrum/SpectrumWin.c:1015 5126msgid "Lorentzian lineshape" 5127msgstr "" 5128 5129#: ../src/IsotopeDistribution/IsotopeDistributionCalculatorDlg.c:722 5130#: ../src/Spectrum/SpectrumWin.c:1019 5131msgid "Gaussian lineshape" 5132msgstr "" 5133 5134#: ../src/MPQC/MPQC.c:184 5135msgid "MPQC input" 5136msgstr "" 5137 5138#: ../src/MPQC/MPQC.c:187 5139msgid " MPQC input " 5140msgstr "" 5141 5142#: ../src/MPQC/MPQCBasis.c:85 ../src/QChem/QChemBasis.c:87 5143#: ../src/QChem/QChemBasis.c:118 5144msgid "" 5145"Sorry, I can not obtain one type of bases for all atoms of your molecule" 5146msgstr "" 5147 5148#: ../src/MPQC/MPQCBasis.c:197 ../src/Orca/OrcaBasis.c:1170 5149#: ../src/QChem/QChemBasis.c:230 5150msgid "Auxiliary basis" 5151msgstr "" 5152 5153#: ../src/MPQC/MPQCBasisLibrary.c:638 ../src/Molpro/MolproBasisLibrary.c:685 5154msgid "Sorry this atom is available" 5155msgstr "" 5156 5157#: ../src/MPQC/MPQCBasisLibrary.c:750 ../src/Molpro/MolproBasisLibrary.c:796 5158#, c-format 5159msgid "New Atom" 5160msgstr "" 5161 5162#: ../src/MPQC/MPQCBasisLibrary.c:769 ../src/Molpro/MolproBasisLibrary.c:815 5163msgid " Atom Symbol : " 5164msgstr "" 5165 5166#: ../src/MPQC/MPQCBasisLibrary.c:828 ../src/Molpro/MolproBasisLibrary.c:873 5167msgid "Sorry this basis is already available" 5168msgstr "" 5169 5170#: ../src/MPQC/MPQCBasisLibrary.c:885 ../src/Molpro/MolproBasisLibrary.c:933 5171#, c-format 5172msgid "New Basis for %s atom :" 5173msgstr "" 5174 5175#: ../src/MPQC/MPQCBasisLibrary.c:906 ../src/MPQC/MPQCBasisLibrary.c:1023 5176msgid " Basis Name " 5177msgstr "" 5178 5179#: ../src/MPQC/MPQCBasisLibrary.c:1002 5180#, c-format 5181msgid "Edit Basis for %s atom :" 5182msgstr "" 5183 5184#: ../src/MPQC/MPQCBasisLibrary.c:1148 5185msgid "Atom" 5186msgstr "" 5187 5188#: ../src/MPQC/MPQCBasisLibrary.c:1148 5189msgid "Basis Name" 5190msgstr "" 5191 5192#: ../src/MPQC/MPQCBasisLibrary.c:1231 ../src/MPQC/MPQCBasisLibrary.c:1255 5193#: ../src/MPQC/MPQCBasisLibrary.c:1262 ../src/MPQC/MPQCBasisLibrary.c:1278 5194#: ../src/MPQC/MPQCBasisLibrary.c:1285 5195#, c-format 5196msgid "" 5197"Sorry the mpqcbasis is corrupted.\n" 5198"Please reinstall gabedit\n" 5199msgstr "" 5200 5201#: ../src/MPQC/MPQCBasisLibrary.c:1308 5202msgid "Set MPQC Basis" 5203msgstr "" 5204 5205#: ../src/MPQC/MPQCFunctionals.c:47 5206msgid "Perdew-Burke-Ernzerhof (PBE) correlation functional." 5207msgstr "" 5208 5209#: ../src/MPQC/MPQCFunctionals.c:51 5210msgid "Perdew-Wang 1991 correlation functional" 5211msgstr "" 5212 5213#: ../src/MPQC/MPQCFunctionals.c:55 ../src/MPQC/MPQCFunctionals.c:59 5214msgid "Perdew 1986 (P86) correlation functional" 5215msgstr "" 5216 5217#: ../src/MPQC/MPQCFunctionals.c:64 5218msgid "VWN1 local correlation term (from Vosko, Wilk, and Nusair)" 5219msgstr "" 5220 5221#: ../src/MPQC/MPQCFunctionals.c:68 5222msgid "VWN1(RPA) local correlation term (from Vosko, Wilk, and Nusair)" 5223msgstr "" 5224 5225#: ../src/MPQC/MPQCFunctionals.c:72 5226msgid "VWN2 local correlation term (from Vosko, Wilk, and Nusair)" 5227msgstr "" 5228 5229#: ../src/MPQC/MPQCFunctionals.c:76 5230msgid "VWN3 local correlation term (from Vosko, Wilk, and Nusair)" 5231msgstr "" 5232 5233#: ../src/MPQC/MPQCFunctionals.c:80 5234msgid "VWN4 local correlation term (from Vosko, Wilk, and Nusair)" 5235msgstr "" 5236 5237#: ../src/MPQC/MPQCFunctionals.c:84 5238msgid "VWN5 local correlation term (from Vosko, Wilk, and Nusair)" 5239msgstr "" 5240 5241#: ../src/MPQC/MPQCFunctionals.c:88 5242msgid "PW92 local (LSDA) correlation term" 5243msgstr "" 5244 5245#: ../src/MPQC/MPQCFunctionals.c:92 5246msgid "PZ81 local (LSDA) correlation functional" 5247msgstr "" 5248 5249#: ../src/MPQC/MPQCFunctionals.c:96 5250msgid "Lee, Yang, and Parr correlation functional" 5251msgstr "" 5252 5253#: ../src/MPQC/MPQCFunctionals.c:100 5254msgid "Hartree-Fock Exchange" 5255msgstr "" 5256 5257#: ../src/MPQC/MPQCFunctionals.c:104 5258msgid "Xalpha exchange functional" 5259msgstr "" 5260 5261#: ../src/MPQC/MPQCFunctionals.c:108 5262msgid "Slater Exchange term" 5263msgstr "" 5264 5265#: ../src/MPQC/MPQCFunctionals.c:112 5266msgid "Becke's 1988 exchange functional" 5267msgstr "" 5268 5269#: ../src/MPQC/MPQCFunctionals.c:116 5270msgid "Perdew-Burke-Ernzerhof (PBE) exchange functional" 5271msgstr "" 5272 5273#: ../src/MPQC/MPQCFunctionals.c:120 5274msgid "Perdew-Wang 1986 (PW86) Exchange functiona" 5275msgstr "" 5276 5277#: ../src/MPQC/MPQCFunctionals.c:124 5278msgid "Perdew-Wang 1991 exchange functional" 5279msgstr "" 5280 5281#: ../src/MPQC/MPQCFunctionals.c:128 ../src/MPQC/MPQCFunctionals.c:132 5282#: ../src/MPQC/MPQCFunctionals.c:136 5283msgid "modified 1991 Perdew-Wang exchange functional" 5284msgstr "" 5285 5286#: ../src/MPQC/MPQCFunctionals.c:140 5287msgid "Gill 1996 (G96) exchange functional" 5288msgstr "" 5289 5290#: ../src/MPQC/MPQCFunctionals.c:500 5291msgid "Exchange" 5292msgstr "" 5293 5294#: ../src/MPQC/MPQCFunctionals.c:501 5295msgid "Correlation" 5296msgstr "" 5297 5298#: ../src/MPQC/MPQCFunctionals.c:558 5299msgid "MPQC Sum Density functionals" 5300msgstr "" 5301 5302#: ../src/MPQC/MPQCFunctionals.c:562 5303msgid " MPQC Sum. Dens. " 5304msgstr "" 5305 5306#: ../src/MPQC/MPQCFunctionals.c:570 5307msgid "Exchange functionals" 5308msgstr "" 5309 5310#: ../src/MPQC/MPQCFunctionals.c:573 5311msgid "Correlation functionals" 5312msgstr "" 5313 5314#: ../src/MPQC/MPQCGuessWaveFunction.c:385 ../src/MPQC/MPQCMole.c:568 5315#: ../src/OpenGL/IntegralOrbitals.c:1184 ../src/OpenGL/IntegralOrbitals.c:1783 5316#: ../src/OpenGL/IntegralOrbitals.c:2248 ../src/Orca/OrcaKeywords.c:1156 5317msgid "Method" 5318msgstr "" 5319 5320#: ../src/MPQC/MPQCGuessWaveFunction.c:435 5321msgid "Parameters for computing the guess wave function" 5322msgstr "" 5323 5324#: ../src/MPQC/MPQCGuessWaveFunction.c:447 5325msgid "Starting from core Hamiltonian guess." 5326msgstr "" 5327 5328#: ../src/MPQC/MPQCLib.c:52 ../src/MPQC/MPQCLib.c:78 ../src/MPQC/MPQCLib.c:126 5329#: ../src/MPQC/MPQCLib.c:179 5330#, c-format 5331msgid "" 5332"Sorry the mpqcBasis is corrupted.\n" 5333"Please reinstall gabedit\n" 5334msgstr "" 5335 5336#: ../src/MPQC/MPQCMole.c:413 ../src/MPQC/MPQCMole.c:430 5337#: ../src/MPQC/MPQCMole.c:624 5338msgid "Your functional" 5339msgstr "" 5340 5341#: ../src/MPQC/MPQCMole.c:458 5342msgid " This is :\n" 5343msgstr "" 5344 5345#: ../src/MPQC/MPQCMole.c:608 5346msgid "Functional" 5347msgstr "" 5348 5349#: ../src/MPQC/MPQCMole.c:618 5350msgid "What this ?" 5351msgstr "" 5352 5353#: ../src/MPQC/MPQCMole.c:652 5354msgid "Parameters for computing the molecule's energy" 5355msgstr "" 5356 5357#: ../src/MPQC/MPQCMolecule.c:454 5358msgid "Symmetry" 5359msgstr "" 5360 5361#: ../src/MPQC/MPQCMolecule.c:472 5362msgid "Auto detection by MPQC" 5363msgstr "" 5364 5365#: ../src/MPQC/MPQCOptimization.c:152 5366msgid " Max iterations" 5367msgstr "" 5368 5369#: ../src/MPQC/MPQCOptimization.c:184 5370msgid "Type of calcul" 5371msgstr "" 5372 5373#: ../src/MPQC/MPQCOptimization.c:205 5374msgid "Optimization" 5375msgstr "" 5376 5377#: ../src/MPQC/MPQCOptimization.c:214 5378msgid "Transition state" 5379msgstr "" 5380 5381#: ../src/MPQC/MPQCProperties.c:80 5382msgid "Print the natural population analysis " 5383msgstr "" 5384 5385#: ../src/MPQC/MPQCProperties.c:86 5386msgid "Print the natural atomic orbitals" 5387msgstr "" 5388 5389#: ../src/MPQC/MPQCProperties.c:92 5390msgid "Calcul Frequencies" 5391msgstr "" 5392 5393#: ../src/Molcas/Molcas.c:181 5394msgid "Molcas input" 5395msgstr "" 5396 5397#: ../src/Molcas/Molcas.c:183 5398msgid " Molcas input " 5399msgstr "" 5400 5401#: ../src/Molcas/MolcasBasis.c:192 5402msgid "List of available basis" 5403msgstr "" 5404 5405#: ../src/Molcas/MolcasBasis.c:343 5406#, c-format 5407msgid "Atom n %d is selected " 5408msgstr "" 5409 5410#: ../src/Molcas/MolcasBasis.c:393 5411msgid "You must initially define your geometry." 5412msgstr "" 5413 5414#: ../src/Molcas/MolcasBasis.c:401 5415msgid "Molcas Basis" 5416msgstr "" 5417 5418#: ../src/Molcas/MolcasBasis.c:403 5419msgid " Molcas Basis " 5420msgstr "" 5421 5422#: ../src/Molcas/MolcasBasis.c:424 ../src/Molpro/MInterfaceBasis.c:1163 5423msgid "Please select a atom " 5424msgstr "" 5425 5426#: ../src/Molcas/MolcasGateWay.c:384 5427msgid "Sorry, No Symmetry" 5428msgstr "" 5429 5430#: ../src/Molcas/MolcasGateWay.c:1204 5431#, c-format 5432msgid "Sorry, I can not read geometry from %s file" 5433msgstr "" 5434 5435#: ../src/Molcas/MolcasGateWay.c:1444 5436#, c-format 5437msgid "Group symbol = %s\n" 5438msgstr "" 5439 5440#: ../src/Molcas/MolcasGateWay.c:1447 5441#: ../src/Symmetry/MoleculeSymmetryInterface.c:60 5442#, c-format 5443msgid "Tolerance for principal axis classification : %0.5f\n" 5444msgstr "" 5445 5446#: ../src/Molcas/MolcasGateWay.c:1452 5447#, c-format 5448msgid "" 5449"Precision for atom position : Min distance between atoms\n" 5450"\n" 5451msgstr "" 5452 5453#: ../src/Molcas/MolcasGateWay.c:1454 5454#: ../src/Symmetry/MoleculeSymmetryInterface.c:63 5455#, c-format 5456msgid "" 5457"Precision for atom position : %0.5f\n" 5458"\n" 5459msgstr "" 5460 5461#: ../src/Molcas/MolcasGateWay.c:1458 5462#, c-format 5463msgid "" 5464"Total number of electrons : %d\n" 5465"\n" 5466msgstr "" 5467 5468#: ../src/Molcas/MolcasGateWay.c:1464 5469#: ../src/Symmetry/MoleculeSymmetryInterface.c:87 5470#, c-format 5471msgid "Generators : " 5472msgstr "" 5473 5474#: ../src/Molcas/MolcasGateWay.c:1483 5475#, c-format 5476msgid "Type n %d\n" 5477msgstr "" 5478 5479#: ../src/Molcas/MolcasGateWay.c:1485 5480#, c-format 5481msgid "Basis = %s\n" 5482msgstr "" 5483 5484#: ../src/Molcas/MolcasGateWay.c:1488 5485#, c-format 5486msgid "Number of atoms (without reduction ) for %s = %d \n" 5487msgstr "" 5488 5489#: ../src/Molcas/MolcasGateWay.c:1492 5490#, c-format 5491msgid "Number of atoms (with reduction ) for %s = %d \n" 5492msgstr "" 5493 5494#: ../src/Molcas/MolcasGateWay.c:1541 5495#: ../src/Symmetry/MoleculeSymmetryInterface.c:308 5496msgid "" 5497"Point group, abelian point group & Geometry with reduction (using abelian " 5498"group)" 5499msgstr "" 5500 5501#: ../src/Molcas/MolcasGateWay.c:1580 5502msgid "Find maximum" 5503msgstr "" 5504 5505#: ../src/Molcas/MolcasGateWay.c:1581 5506msgid "C1 group" 5507msgstr "" 5508 5509#: ../src/Molcas/MolcasGateWay.c:1585 5510msgid "Geometry& basis" 5511msgstr "" 5512 5513#: ../src/Molcas/MolcasGateWay.c:1597 5514msgid "Full symmetry" 5515msgstr "" 5516 5517#: ../src/Molcas/MolcasGateWay.c:1606 5518msgid "Fixed symmetry" 5519msgstr "" 5520 5521#: ../src/Molcas/MolcasGateWay.c:1613 5522msgid " Tolerance " 5523msgstr "" 5524 5525#: ../src/Molcas/MolcasGateWay.c:1619 5526msgid "Without symmetry" 5527msgstr "" 5528 5529#: ../src/Molcas/MolcasGateWay.c:1627 5530msgid " Show result " 5531msgstr "" 5532 5533#: ../src/Molcas/MolcasGateWay.c:1634 5534msgid " Set Basis " 5535msgstr "" 5536 5537#: ../src/Molcas/MolcasLib.c:71 ../src/Molcas/MolcasLib.c:115 5538#, c-format 5539msgid "" 5540"Sorry the molcasbasis is corrupted.\n" 5541"Please reinstall gabedit\n" 5542msgstr "" 5543 5544#: ../src/Molcas/MolcasOptimization.c:145 5545msgid "Number of iterations : " 5546msgstr "" 5547 5548#: ../src/Molcas/MolcasOptimization.c:149 5549msgid "Type of caclul" 5550msgstr "" 5551 5552#: ../src/Molcas/MolcasOptimization.c:167 5553msgid "Optimization of geometry" 5554msgstr "" 5555 5556#: ../src/Molcas/MolcasScf.c:326 5557#, c-format 5558msgid "Number Of Electrons = %d" 5559msgstr "" 5560 5561#: ../src/Molcas/MolcasScf.c:402 5562msgid "Type : " 5563msgstr "" 5564 5565#: ../src/Molcas/MolcasScf.c:403 5566msgid "Method : " 5567msgstr "" 5568 5569#: ../src/Molcas/MolcasScf.c:412 5570#: ../src/MolecularMechanics/SetPDBTemplate.c:497 5571msgid "Charge : " 5572msgstr "" 5573 5574#: ../src/Molcas/MolcasScf.c:420 5575msgid "2* Z Spin : " 5576msgstr "" 5577 5578#: ../src/Molcas/MolcasScf.c:427 5579msgid "SCF Program" 5580msgstr "" 5581 5582#: ../src/Molcas/MolcasVariables.c:60 ../src/Molcas/MolcasVariables.c:152 5583#: ../src/Molcas/MolcasVariables.c:161 5584msgid "largest possible" 5585msgstr "" 5586 5587#: ../src/Molcas/MolcasVariables.c:74 ../src/Molcas/MolcasVariables.c:166 5588#: ../src/Molcas/MolcasVariables.c:175 ../src/Molcas/MolcasVariables.c:251 5589msgid "Limited to 2 GBytes" 5590msgstr "" 5591 5592#: ../src/Molcas/MolcasVariables.c:248 5593msgid "The largest possible" 5594msgstr "" 5595 5596#: ../src/Molcas/MolcasVariables.c:265 5597msgid "Molcas system variables" 5598msgstr "" 5599 5600#: ../src/MolecularMechanics/ConjugateGradient.c:190 5601#: ../src/MolecularMechanics/ConjugateGradient.c:400 5602#: ../src/MolecularMechanics/ConjugateGradient.c:497 5603#, c-format 5604msgid "gradient = %f " 5605msgstr "" 5606 5607#: ../src/MolecularMechanics/ConjugateGradient.c:213 5608#: ../src/MolecularMechanics/ConjugateGradient.c:314 5609#: ../src/MolecularMechanics/ConjugateGradient.c:420 5610#: ../src/MolecularMechanics/ConjugateGradient.c:517 5611#, c-format 5612msgid "Gradient = %f Energy = %f (Kcal/mol) " 5613msgstr "" 5614 5615#: ../src/MolecularMechanics/MolecularDynamics.c:157 5616#: ../src/MolecularMechanics/MolecularDynamics.c:373 5617#: ../src/SemiEmpirical/SemiEmpiricalMD.c:158 5618#: ../src/SemiEmpirical/SemiEmpiricalMD.c:374 5619#, c-format 5620msgid "" 5621"MD Heating: %0.2f fs, T = %0.2f K T(t) = %0.2f Kin = %0.4f Pot = %0.4f Tot " 5622"= %0.4f" 5623msgstr "" 5624 5625#: ../src/MolecularMechanics/MolecularDynamics.c:188 5626#: ../src/MolecularMechanics/MolecularDynamics.c:405 5627#: ../src/SemiEmpirical/SemiEmpiricalMD.c:189 5628#: ../src/SemiEmpirical/SemiEmpiricalMD.c:406 5629#, c-format 5630msgid "" 5631"MD Equilibrium: %0.2f fs, T = %0.2f K T(t) = %0.2f K Kin = %0.4f Pot = %" 5632"0.4f Tot = %0.4f" 5633msgstr "" 5634 5635#: ../src/MolecularMechanics/MolecularDynamics.c:210 5636#: ../src/MolecularMechanics/MolecularDynamics.c:239 5637#: ../src/MolecularMechanics/MolecularDynamics.c:251 5638#: ../src/SemiEmpirical/SemiEmpiricalMD.c:131 5639#: ../src/SemiEmpirical/SemiEmpiricalMD.c:211 5640#: ../src/SemiEmpirical/SemiEmpiricalMD.c:240 5641#: ../src/SemiEmpirical/SemiEmpiricalMD.c:252 5642#, c-format 5643msgid "Geometry selected Potential energy = %0.4f" 5644msgstr "" 5645 5646#: ../src/MolecularMechanics/MolecularDynamics.c:225 5647#: ../src/MolecularMechanics/MolecularDynamics.c:437 5648#: ../src/SemiEmpirical/SemiEmpiricalMD.c:226 5649#: ../src/SemiEmpirical/SemiEmpiricalMD.c:438 5650#, c-format 5651msgid "" 5652"MD Running: %0.2f fs, T = %0.2f K T(t) = %0.2f K Kin = %0.4f Pot = %0.4f " 5653"Tot = %0.4f" 5654msgstr "" 5655 5656#: ../src/MolecularMechanics/MolecularDynamics.c:272 5657#: ../src/MolecularMechanics/MolecularDynamics.c:489 5658#: ../src/SemiEmpirical/SemiEmpiricalMD.c:273 5659#: ../src/SemiEmpirical/SemiEmpiricalMD.c:490 5660#, c-format 5661msgid "" 5662"End of MD Simulation. Gradient = %f Ekin = %f (Kcal/mol) EPot = %0.4f ETot " 5663"= %0.4f T(t) = %0.2f" 5664msgstr "" 5665 5666#: ../src/MolecularMechanics/MolecularDynamics.c:467 5667#: ../src/SemiEmpirical/SemiEmpiricalMD.c:468 5668#, c-format 5669msgid "" 5670"MD Cooling: %0.2f fs, T = %0.2f K T(t) = %0.2f K Kin = %0.4f Pot = %0.4f " 5671"Tot = %0.4f" 5672msgstr "" 5673 5674#: ../src/MolecularMechanics/MolecularDynamics.c:1034 5675#: ../src/SemiEmpirical/SemiEmpiricalMD.c:1150 5676#, c-format 5677msgid "Rattle first portion : Warning, distance constraints not satisfied\n" 5678msgstr "" 5679 5680#: ../src/MolecularMechanics/MolecularDynamics.c:1145 5681#: ../src/SemiEmpirical/SemiEmpiricalMD.c:1228 5682#, c-format 5683msgid "Rattle second portion : Warning, velocity constraints not satisfied\n" 5684msgstr "" 5685 5686#: ../src/MolecularMechanics/MolecularMechanics.c:675 5687#, c-format 5688msgid "number Of RattleConstraintsTerms = %d\n" 5689msgstr "" 5690 5691#: ../src/MolecularMechanics/MolecularMechanics.c:676 5692#, c-format 5693msgid "number free degrees = %d\n" 5694msgstr "" 5695 5696#: ../src/MolecularMechanics/MolecularMechanics.c:723 5697#, c-format 5698msgid "**** couldn't find stretch parameters for %s-%s(%d-%d) " 5699msgstr "" 5700 5701#: ../src/MolecularMechanics/MolecularMechanics.c:755 5702#, c-format 5703msgid "-> I set force to %f and equilibrium distance to %f\n" 5704msgstr "" 5705 5706#: ../src/MolecularMechanics/MolecularMechanics.c:805 5707#, c-format 5708msgid "**** couldn't find bend parameters for %s-%s-%s " 5709msgstr "" 5710 5711#: ../src/MolecularMechanics/MolecularMechanics.c:824 5712#, c-format 5713msgid "-> I set force to %f and equilibrium angle to %f\n" 5714msgstr "" 5715 5716#: ../src/MolecularMechanics/MolecularMechanics.c:1065 5717#, c-format 5718msgid "**** couldn't find non bonded parameters for %s \n" 5719msgstr "" 5720 5721#: ../src/MolecularMechanics/MolecularMechanics.c:1201 5722#, c-format 5723msgid "**** couldn't find pair wise parameters for %s-%s\n" 5724msgstr "" 5725 5726#: ../src/MolecularMechanics/MolecularMechanics.c:2544 5727#: ../src/MolecularMechanics/MolecularMechanics.c:2545 5728#: ../src/MolecularMechanics/MolecularMechanics.c:2576 5729#: ../src/MolecularMechanics/MolecularMechanics.c:2577 5730msgid "Setting of Parameters ..." 5731msgstr "" 5732 5733#: ../src/MolecularMechanics/MolecularMechanicsDlg.c:1053 5734#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:3605 5735msgid "" 5736"_*.mop\n" 5737"\tFiles for a post processing by Mopac\n" 5738"\n" 5739msgstr "" 5740 5741#: ../src/MolecularMechanics/MolecularMechanicsDlg.c:1061 5742#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:3613 5743msgid "" 5744"_*.com\n" 5745"\tFiles for a post processing by Gaussian\n" 5746"\n" 5747msgstr "" 5748 5749#: ../src/MolecularMechanics/MolecularMechanicsDlg.c:1069 5750#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:3621 5751msgid "" 5752"P_*.inp\n" 5753"\tFiles for a post processing by FireFly\n" 5754"\n" 5755msgstr "" 5756 5757#: ../src/MolecularMechanics/MolecularMechanicsDlg.c:1437 5758msgid "" 5759"\n" 5760"\tGeometries selected and optimized using your MM potentials" 5761msgstr "" 5762 5763#: ../src/MolecularMechanics/MolecularMechanicsDlg.c:1438 5764#: ../src/MolecularMechanics/MolecularMechanicsDlg.c:1455 5765#: ../src/MolecularMechanics/MolecularMechanicsDlg.c:1477 5766#: ../src/MolecularMechanics/MolecularMechanicsDlg.c:1499 5767#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:3556 5768#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:3576 5769#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:3595 5770msgid "" 5771"\n" 5772"\tTo read this file : 'Read/Gabedit file'\n" 5773"\n" 5774msgstr "" 5775 5776#: ../src/MolecularMechanics/MolecularMechanicsDlg.c:1454 5777msgid "" 5778"\n" 5779"\tGeometries after minimization by PM6/Mopac" 5780msgstr "" 5781 5782#: ../src/MolecularMechanics/MolecularMechanicsDlg.c:1476 5783msgid "" 5784"\n" 5785"\tGeometries after minimization by AM1/Mopac" 5786msgstr "" 5787 5788#: ../src/MolecularMechanics/MolecularMechanicsDlg.c:1498 5789#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:3575 5790msgid "" 5791"\n" 5792"\tGeometries after minimization by FireFly" 5793msgstr "" 5794 5795#: ../src/MolecularMechanics/MolecularMechanicsDlg.c:3474 5796#, c-format 5797msgid "Gradient Norm = %f energy = %f(KCal/mol)" 5798msgstr "" 5799 5800#: ../src/MolecularMechanics/MolecularMechanicsDlg.c:3578 5801#: ../src/MolecularMechanics/MolecularMechanicsDlg.c:3579 5802msgid "Gradient" 5803msgstr "" 5804 5805#: ../src/MolecularMechanics/Molecule.c:514 5806#: ../src/MolecularMechanics/Molecule.c:515 5807#: ../src/SemiEmpirical/MoleculeSE.c:339 ../src/SemiEmpirical/MoleculeSE.c:340 5808msgid "Establishing connectivity : 2 connections..." 5809msgstr "" 5810 5811#: ../src/MolecularMechanics/Molecule.c:520 5812#: ../src/MolecularMechanics/Molecule.c:521 5813#: ../src/SemiEmpirical/MoleculeSE.c:345 ../src/SemiEmpirical/MoleculeSE.c:346 5814msgid "Establishing connectivity : 3 connections..." 5815msgstr "" 5816 5817#: ../src/MolecularMechanics/Molecule.c:529 5818#: ../src/MolecularMechanics/Molecule.c:530 5819msgid "Establishing connectivity : 4 connections..." 5820msgstr "" 5821 5822#: ../src/MolecularMechanics/Molecule.c:538 5823#: ../src/MolecularMechanics/Molecule.c:539 5824msgid "Establishing connectivity : non bonded ..." 5825msgstr "" 5826 5827#: ../src/MolecularMechanics/QuasiNewton.c:124 5828#: ../src/MolecularMechanics/QuasiNewton.c:139 5829#, c-format 5830msgid "Gradient = %f energy = %f " 5831msgstr "" 5832 5833#: ../src/MolecularMechanics/QuasiNewton.c:425 5834#, c-format 5835msgid "The search direction is not a descent direction." 5836msgstr "" 5837 5838#: ../src/MolecularMechanics/QuasiNewton.c:766 5839#, c-format 5840msgid "Improper input parameters (n or m are not positive.)" 5841msgstr "" 5842 5843#: ../src/MolecularMechanics/QuasiNewton.c:773 5844#, c-format 5845msgid "lbfgs: gtol is less than or equal to 0.0001.It has been reset to 0.9." 5846msgstr "" 5847 5848#: ../src/MolecularMechanics/QuasiNewton.c:792 5849#: ../src/MolecularMechanics/QuasiNewton.c:858 5850#, c-format 5851msgid "" 5852"The %d-th diagonal element of the inverse hessian approximation is not " 5853"positive." 5854msgstr "" 5855 5856#: ../src/MolecularMechanics/QuasiNewton.c:928 5857#, c-format 5858msgid "" 5859"Line search failed. See documentation of routine mcsrch.\n" 5860" Error return of line search: info = %d Possible causes:\n" 5861" function or gradient are incorrect, or incorrect tolerances.\n" 5862msgstr "" 5863 5864#: ../src/MolecularMechanics/SetPDBTemplate.c:335 5865msgid "The value for 'charge' must be a number." 5866msgstr "" 5867 5868#: ../src/MolecularMechanics/SetPDBTemplate.c:364 5869#, c-format 5870msgid "" 5871"Sorry, I can not add this pdb type\n" 5872"%s is available." 5873msgstr "" 5874 5875#: ../src/MolecularMechanics/SetPDBTemplate.c:443 5876msgid "Residue Name : " 5877msgstr "" 5878 5879#: ../src/MolecularMechanics/SetPDBTemplate.c:461 5880msgid "PDB Type : " 5881msgstr "" 5882 5883#: ../src/MolecularMechanics/SetPDBTemplate.c:476 5884#: ../src/MolecularMechanics/SetPDBTemplate.c:480 5885msgid "MM Type :" 5886msgstr "" 5887 5888#: ../src/MolecularMechanics/SetPDBTemplate.c:588 5889#, c-format 5890msgid "Do you want to really delete \"%s\" residue ?" 5891msgstr "" 5892 5893#: ../src/MolecularMechanics/SetPDBTemplate.c:674 5894msgid "New Residue" 5895msgstr "" 5896 5897#: ../src/MolecularMechanics/SetPDBTemplate.c:681 5898msgid "Edit Type" 5899msgstr "" 5900 5901#: ../src/MolecularMechanics/SetPDBTemplate.c:687 5902msgid "New Type" 5903msgstr "" 5904 5905#: ../src/MolecularMechanics/SetPDBTemplate.c:1037 5906msgid "Set PDB Template" 5907msgstr "" 5908 5909#: ../src/MolecularMechanics/SteepestDescent.c:159 5910#, c-format 5911msgid "Gradient = %f " 5912msgstr "" 5913 5914#: ../src/MolecularMechanics/SteepestDescent.c:177 5915#, c-format 5916msgid "Gradient = %f Energy = %f (Kcal/mol)" 5917msgstr "" 5918 5919#: ../src/Molpro/MInterfaceBasis.c:135 5920#, c-format 5921msgid " Get Basis using libmol : %.0f%%" 5922msgstr "" 5923 5924#: ../src/Molpro/MInterfaceBasis.c:137 5925#, c-format 5926msgid " Get Basis from gabedit basis file : %.0f%%" 5927msgstr "" 5928 5929#: ../src/Molpro/MInterfaceBasis.c:528 5930#, c-format 5931msgid " Basis for %s " 5932msgstr "" 5933 5934#: ../src/Molpro/MInterfaceBasis.c:755 5935msgid "" 5936" Sorry,\n" 5937"No basis available for this atom,\n" 5938"Or libmol is not installed in your system." 5939msgstr "" 5940 5941#: ../src/Molpro/MInterfaceBasis.c:757 5942msgid "" 5943" Sorry,\n" 5944"No basis available for this atom,\n" 5945"Or gabedit molpro basis file is corrupted." 5946msgstr "" 5947 5948#: ../src/Molpro/MInterfaceBasis.c:762 5949#, c-format 5950msgid "Error : %s" 5951msgstr "" 5952 5953#: ../src/Molpro/MInterfaceBasis.c:850 5954msgid "Please select a atom" 5955msgstr "" 5956 5957#: ../src/Molpro/MInterfaceBasis.c:934 5958msgid " No Atom to delete !" 5959msgstr "" 5960 5961#: ../src/Molpro/MInterfaceBasis.c:939 5962msgid " Please Select Your Atom to delete!" 5963msgstr "" 5964 5965#: ../src/Molpro/MInterfaceBasis.c:945 5966msgid "Delete Atom" 5967msgstr "" 5968 5969#: ../src/Molpro/MInterfaceBasis.c:949 5970msgid "" 5971"Are you sure to delete \n" 5972"the selected atom? \n" 5973msgstr "" 5974 5975#: ../src/Molpro/MInterfaceBasis.c:1033 5976msgid " Selec. atom " 5977msgstr "" 5978 5979#: ../src/Molpro/MInterfaceBasis.c:1097 5980msgid " New Atom " 5981msgstr "" 5982 5983#: ../src/Molpro/MInterfaceBasis.c:1105 5984msgid " Delete Atom " 5985msgstr "" 5986 5987#: ../src/Molpro/MInterfaceBasis.c:1124 ../src/Mopac/MopacMolecule.c:986 5988#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:1927 5989msgid "Atoms" 5990msgstr "" 5991 5992#: ../src/Molpro/MInterfaceComm.c:98 ../src/Molpro/MInterfaceComm.c:802 5993#: ../src/Molpro/MInterfaceComm.c:947 5994msgid "Restriction of classes of excitations" 5995msgstr "" 5996 5997#: ../src/Molpro/MInterfaceComm.c:159 5998msgid "Type of orbital to save" 5999msgstr "" 6000 6001#: ../src/Molpro/MInterfaceComm.c:186 6002msgid " Type of robital :" 6003msgstr "" 6004 6005#: ../src/Molpro/MInterfaceComm.c:219 ../src/Molpro/MInterfaceComm.c:799 6006#: ../src/Molpro/MInterfaceComm.c:940 6007msgid "Additional reference symmetries" 6008msgstr "" 6009 6010#: ../src/Molpro/MInterfaceComm.c:249 6011msgid "Additional reference symmetries :" 6012msgstr "" 6013 6014#: ../src/Molpro/MInterfaceComm.c:282 6015msgid "Number of states" 6016msgstr "" 6017 6018#: ../src/Molpro/MInterfaceComm.c:311 6019msgid " Number of states :" 6020msgstr "" 6021 6022#: ../src/Molpro/MInterfaceComm.c:343 ../src/Molpro/MInterfaceComm.c:873 6023#: ../src/Molpro/MInterfaceComm.c:1043 6024msgid "Initial orbital guess" 6025msgstr "" 6026 6027#: ../src/Molpro/MInterfaceComm.c:369 6028msgid " The type of the initial orbital guess :" 6029msgstr "" 6030 6031#: ../src/Molpro/MInterfaceComm.c:532 6032#, c-format 6033msgid "File number : " 6034msgstr "" 6035 6036#: ../src/Molpro/MInterfaceComm.c:533 6037#, c-format 6038msgid "Record number: " 6039msgstr "" 6040 6041#: ../src/Molpro/MInterfaceComm.c:607 6042#, c-format 6043msgid "In symmetry number %d : " 6044msgstr "" 6045 6046#: ../src/Molpro/MInterfaceComm.c:697 6047msgid "Wave function symmetry" 6048msgstr "" 6049 6050#: ../src/Molpro/MInterfaceComm.c:749 6051msgid "Number of electrons :" 6052msgstr "" 6053 6054#: ../src/Molpro/MInterfaceComm.c:751 6055msgid "Number of the irreducible representation :" 6056msgstr "" 6057 6058#: ../src/Molpro/MInterfaceComm.c:753 6059msgid "2*Spin :" 6060msgstr "" 6061 6062#: ../src/Molpro/MInterfaceComm.c:778 ../src/Molpro/MInterfaceComm.c:817 6063#: ../src/Molpro/MInterfaceComm.c:895 ../src/Molpro/MInterfaceComm.c:939 6064#: ../src/Molpro/MInterfaceComm.c:989 6065msgid "Defining the state symmetry" 6066msgstr "" 6067 6068#: ../src/Molpro/MInterfaceComm.c:781 ../src/Molpro/MInterfaceComm.c:782 6069#: ../src/Molpro/MInterfaceComm.c:820 ../src/Molpro/MInterfaceComm.c:821 6070#: ../src/Molpro/MInterfaceComm.c:897 ../src/Molpro/MInterfaceComm.c:937 6071#: ../src/Molpro/MInterfaceComm.c:987 6072msgid "Defining the occupied orbitals" 6073msgstr "" 6074 6075#: ../src/Molpro/MInterfaceComm.c:784 ../src/Molpro/MInterfaceComm.c:785 6076#: ../src/Molpro/MInterfaceComm.c:823 ../src/Molpro/MInterfaceComm.c:824 6077#: ../src/Molpro/MInterfaceComm.c:894 ../src/Molpro/MInterfaceComm.c:938 6078#: ../src/Molpro/MInterfaceComm.c:988 6079msgid "Defining the closed-shell orbitals" 6080msgstr "" 6081 6082#: ../src/Molpro/MInterfaceComm.c:787 ../src/Molpro/MInterfaceComm.c:788 6083#: ../src/Molpro/MInterfaceComm.c:826 ../src/Molpro/MInterfaceComm.c:827 6084#: ../src/Molpro/MInterfaceComm.c:898 ../src/Molpro/MInterfaceComm.c:944 6085#: ../src/Molpro/MInterfaceComm.c:994 6086msgid "Defining the Frozen-core orbitals" 6087msgstr "" 6088 6089#: ../src/Molpro/MInterfaceComm.c:790 ../src/Molpro/MInterfaceComm.c:948 6090msgid "Saving the natural orbitals" 6091msgstr "" 6092 6093#: ../src/Molpro/MInterfaceComm.c:791 6094msgid "Saving the natural orbital" 6095msgstr "" 6096 6097#: ../src/Molpro/MInterfaceComm.c:793 ../src/Molpro/MInterfaceComm.c:835 6098#: ../src/Molpro/MInterfaceComm.c:946 ../src/Molpro/MInterfaceComm.c:996 6099msgid "Defining the number of states in the present symmetry" 6100msgstr "" 6101 6102#: ../src/Molpro/MInterfaceComm.c:796 ../src/Molpro/MInterfaceComm.c:797 6103#: ../src/Molpro/MInterfaceComm.c:893 ../src/Molpro/MInterfaceComm.c:945 6104msgid "Defining the orbitals" 6105msgstr "" 6106 6107#: ../src/Molpro/MInterfaceComm.c:829 ../src/Molpro/MInterfaceComm.c:998 6108msgid "Saving the final orbitals" 6109msgstr "" 6110 6111#: ../src/Molpro/MInterfaceComm.c:830 ../src/Molpro/MInterfaceComm.c:864 6112#: ../src/Molpro/MInterfaceComm.c:865 ../src/Molpro/MInterfaceComm.c:1042 6113msgid "Saving the final orbital" 6114msgstr "" 6115 6116#: ../src/Molpro/MInterfaceComm.c:832 ../src/Molpro/MInterfaceComm.c:833 6117#: ../src/Molpro/MInterfaceComm.c:995 6118msgid "Defining the starting guess" 6119msgstr "" 6120 6121#: ../src/Molpro/MInterfaceComm.c:838 ../src/Molpro/MInterfaceComm.c:997 6122msgid "Specifying weights in state-averaged calculations" 6123msgstr "" 6124 6125#: ../src/Molpro/MInterfaceComm.c:839 6126msgid "Specifying weights in state-averaged calculations " 6127msgstr "" 6128 6129#: ../src/Molpro/MInterfaceComm.c:841 ../src/Molpro/MInterfaceComm.c:991 6130msgid "Type of orbitals to save" 6131msgstr "" 6132 6133#: ../src/Molpro/MInterfaceComm.c:855 ../src/Molpro/MInterfaceComm.c:1037 6134msgid "Defining the wavefunction" 6135msgstr "" 6136 6137#: ../src/Molpro/MInterfaceComm.c:858 ../src/Molpro/MInterfaceComm.c:859 6138#: ../src/Molpro/MInterfaceComm.c:1038 6139msgid "Specifying closed-shell orbitals" 6140msgstr "" 6141 6142#: ../src/Molpro/MInterfaceComm.c:861 ../src/Molpro/MInterfaceComm.c:862 6143#: ../src/Molpro/MInterfaceComm.c:1041 6144msgid "Defining the number of occupied orbitals in each symmetry" 6145msgstr "" 6146 6147#: ../src/Molpro/MInterfaceComm.c:867 ../src/Molpro/MInterfaceComm.c:868 6148#: ../src/Molpro/MInterfaceComm.c:1039 6149msgid "Starting with previous orbitals" 6150msgstr "" 6151 6152#: ../src/Molpro/MInterfaceComm.c:870 ../src/Molpro/MInterfaceComm.c:871 6153#: ../src/Molpro/MInterfaceComm.c:1040 6154msgid "Starting with a previous density matrix" 6155msgstr "" 6156 6157#: ../src/Molpro/MInterfaceComm.c:1093 6158msgid "HF Options" 6159msgstr "" 6160 6161#: ../src/Molpro/MInterfaceComm.c:1094 6162msgid "UHF Options" 6163msgstr "" 6164 6165#: ../src/Molpro/MInterfaceComm.c:1095 6166msgid "Multi Options" 6167msgstr "" 6168 6169#: ../src/Molpro/MInterfaceComm.c:1096 6170msgid "CI Options" 6171msgstr "" 6172 6173#: ../src/Molpro/MInterfaceComm.c:1097 6174msgid "FCI Options" 6175msgstr "" 6176 6177#: ../src/Molpro/MInterfaceComm.c:1099 ../src/Molpro/MInterfaceComm.c:1124 6178msgid "Please select the type of calculation" 6179msgstr "" 6180 6181#: ../src/Molpro/MInterfaceComm.c:1201 ../src/Molpro/MInterfaceComm.c:1202 6182msgid "Commands" 6183msgstr "" 6184 6185#: ../src/Molpro/MInterfaceComm.c:1215 6186msgid "View all commands generated by gabedit" 6187msgstr "" 6188 6189#: ../src/Molpro/MInterfaceGene.c:186 6190msgid "Input file generated by gabedit" 6191msgstr "" 6192 6193#: ../src/Molpro/MInterfaceGene.c:193 6194msgid "Memory size(in words) : " 6195msgstr "" 6196 6197#: ../src/Molpro/MInterfaceGene.c:206 6198msgid "Global Thresholds " 6199msgstr "" 6200 6201#: ../src/Molpro/MInterfaceGene.c:255 ../src/Molpro/Molpro.c:153 6202msgid "Print basis information " 6203msgstr "" 6204 6205#: ../src/Molpro/MInterfaceGene.c:256 ../src/Molpro/Molpro.c:154 6206msgid "Print CI vector in MCSCF" 6207msgstr "" 6208 6209#: ../src/Molpro/MInterfaceGene.c:257 ../src/Molpro/Molpro.c:155 6210msgid "Print reference CSFs and their coefficients in CI " 6211msgstr "" 6212 6213#: ../src/Molpro/MInterfaceGene.c:258 ../src/Molpro/Molpro.c:156 6214msgid "Print detailed I/O information " 6215msgstr "" 6216 6217#: ../src/Molpro/MInterfaceGene.c:259 ../src/Molpro/Molpro.c:157 6218msgid "Print orbitals in SCF and MCSCF " 6219msgstr "" 6220 6221#: ../src/Molpro/MInterfaceGene.c:260 ../src/Molpro/Molpro.c:158 6222msgid "Print bond angle information" 6223msgstr "" 6224 6225#: ../src/Molpro/MInterfaceGene.c:261 ../src/Molpro/Molpro.c:159 6226msgid "Print information for singles in CI, CCSD " 6227msgstr "" 6228 6229#: ../src/Molpro/MInterfaceGene.c:264 ../src/Molpro/Molpro.c:160 6230msgid "Print bond distances " 6231msgstr "" 6232 6233#: ../src/Molpro/MInterfaceGene.c:265 ../src/Molpro/Molpro.c:161 6234msgid "Print p-space configurations" 6235msgstr "" 6236 6237#: ../src/Molpro/MInterfaceGene.c:266 ../src/Molpro/Molpro.c:162 6238msgid "Print variables each time they are set or changed " 6239msgstr "" 6240 6241#: ../src/Molpro/MInterfaceGene.c:267 ../src/Molpro/Molpro.c:163 6242msgid "Print information for pairs in CI, CCSD " 6243msgstr "" 6244 6245#: ../src/Molpro/MInterfaceGene.c:268 ../src/Molpro/Molpro.c:164 6246msgid "Print microiterations in MCSCF and CI" 6247msgstr "" 6248 6249#: ../src/Molpro/MInterfaceGene.c:269 ../src/Molpro/Molpro.c:165 6250msgid "Print detailed CPU information " 6251msgstr "" 6252 6253#: ../src/Molpro/MInterfaceGene.c:270 ../src/Molpro/Molpro.c:166 6254msgid "Print pair list in CI, CCSD" 6255msgstr "" 6256 6257#: ../src/Molpro/MInterfaceGene.c:280 6258msgid "Global Print Options" 6259msgstr "" 6260 6261#: ../src/Molpro/MInterfaceGene.c:320 6262msgid "Overlap " 6263msgstr "" 6264 6265#: ../src/Molpro/MInterfaceGene.c:321 6266msgid "Kinetic energy" 6267msgstr "" 6268 6269#: ../src/Molpro/MInterfaceGene.c:322 6270msgid "Potential energy " 6271msgstr "" 6272 6273#: ../src/Molpro/MInterfaceGene.c:323 6274msgid "Delta function " 6275msgstr "" 6276 6277#: ../src/Molpro/MInterfaceGene.c:324 6278msgid "Delta4 function " 6279msgstr "" 6280 6281#: ../src/Molpro/MInterfaceGene.c:325 6282msgid "One-electron Darwin term" 6283msgstr "" 6284 6285#: ../src/Molpro/MInterfaceGene.c:328 6286msgid "Mass-velocity term " 6287msgstr "" 6288 6289#: ../src/Molpro/MInterfaceGene.c:329 6290msgid "Total Cowan-Griffin Relativistic correction" 6291msgstr "" 6292 6293#: ../src/Molpro/MInterfaceGene.c:330 6294msgid "Products of angular momentum operators " 6295msgstr "" 6296 6297#: ../src/Molpro/MInterfaceGene.c:331 6298msgid "Dipole moments" 6299msgstr "" 6300 6301#: ../src/Molpro/MInterfaceGene.c:332 6302msgid "Second moment " 6303msgstr "" 6304 6305#: ../src/Molpro/MInterfaceGene.c:333 6306msgid "Quadrupole moments and R2 " 6307msgstr "" 6308 6309#: ../src/Molpro/MInterfaceGene.c:336 ../src/Utils/ConvUtils.c:908 6310msgid "Electric field" 6311msgstr "" 6312 6313#: ../src/Molpro/MInterfaceGene.c:337 6314msgid "Field gradients " 6315msgstr "" 6316 6317#: ../src/Molpro/MInterfaceGene.c:338 6318msgid "Angular momentum operators" 6319msgstr "" 6320 6321#: ../src/Molpro/MInterfaceGene.c:339 ../src/Utils/ConvUtils.c:876 6322msgid "Velocity" 6323msgstr "" 6324 6325#: ../src/Molpro/MInterfaceGene.c:340 6326msgid "Spin-orbit operators" 6327msgstr "" 6328 6329#: ../src/Molpro/MInterfaceGene.c:341 6330msgid "ECP spin-orbit operators" 6331msgstr "" 6332 6333#: ../src/Molpro/MInterfaceGene.c:350 6334msgid "One-electron operators and expectation values" 6335msgstr "" 6336 6337#: ../src/Molpro/MInterfaceGene.c:365 ../src/Molpro/MInterfaceGene.c:379 6338msgid "Compute with origin at " 6339msgstr "" 6340 6341#: ../src/Molpro/MInterfaceGene.c:369 6342msgid "Center Number : " 6343msgstr "" 6344 6345#: ../src/Molpro/MInterfaceGene.c:450 6346msgid " Title/Global Thresholds " 6347msgstr "" 6348 6349#: ../src/Molpro/MInterfaceGene.c:451 6350msgid " Global Print Options " 6351msgstr "" 6352 6353#: ../src/Molpro/MInterfaceGene.c:452 6354msgid " One-electron operators and expectation values " 6355msgstr "" 6356 6357#: ../src/Molpro/MInterfaceGene.c:471 ../src/Molpro/MInterfaceGene.c:472 6358#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:2039 6359#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:2040 6360#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4715 6361#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4716 6362msgid "General" 6363msgstr "" 6364 6365#: ../src/Molpro/MInterfaceGeom.c:71 ../src/Molpro/MInterfaceGeom.c:72 6366#: ../src/OpenGL/GeomOrbXYZ.c:121 ../src/OpenGL/GeomOrbXYZ.c:280 6367#: ../src/OpenGL/GeomOrbXYZ.c:301 ../src/OpenGL/GeomOrbXYZ.c:361 6368#: ../src/OpenGL/GeomOrbXYZ.c:395 ../src/OpenGL/GeomOrbXYZ.c:455 6369#: ../src/OpenGL/GeomOrbXYZ.c:507 ../src/OpenGL/GeomOrbXYZ.c:562 6370#: ../src/OpenGL/GeomOrbXYZ.c:736 ../src/OpenGL/GeomOrbXYZ.c:788 6371#: ../src/OpenGL/GeomOrbXYZ.c:800 ../src/OpenGL/GeomOrbXYZ.c:925 6372#: ../src/OpenGL/GeomOrbXYZ.c:976 ../src/OpenGL/GeomOrbXYZ.c:989 6373#: ../src/OpenGL/GeomOrbXYZ.c:1151 ../src/OpenGL/GeomOrbXYZ.c:1211 6374#: ../src/OpenGL/GeomOrbXYZ.c:1222 ../src/OpenGL/GeomOrbXYZ.c:1283 6375#: ../src/OpenGL/GeomOrbXYZ.c:1307 ../src/OpenGL/GeomOrbXYZ.c:1358 6376#: ../src/OpenGL/GeomOrbXYZ.c:1405 ../src/OpenGL/GeomOrbXYZ.c:1427 6377#: ../src/OpenGL/GeomOrbXYZ.c:1484 ../src/OpenGL/GeomOrbXYZ.c:1737 6378#: ../src/OpenGL/GeomOrbXYZ.c:1768 ../src/OpenGL/GeomOrbXYZ.c:1836 6379#: ../src/OpenGL/GeomOrbXYZ.c:1923 ../src/OpenGL/GeomOrbXYZ.c:2033 6380#: ../src/OpenGL/GeomOrbXYZ.c:2079 ../src/OpenGL/GeomOrbXYZ.c:2102 6381#: ../src/OpenGL/GeomOrbXYZ.c:2157 ../src/OpenGL/GeomOrbXYZ.c:2207 6382#: ../src/OpenGL/GeomOrbXYZ.c:2231 ../src/OpenGL/GeomOrbXYZ.c:2288 6383#: ../src/OpenGL/GeomOrbXYZ.c:2327 ../src/OpenGL/GeomOrbXYZ.c:2359 6384#: ../src/OpenGL/GeomOrbXYZ.c:2427 ../src/OpenGL/GeomOrbXYZ.c:2510 6385#: ../src/OpenGL/GeomOrbXYZ.c:2584 ../src/OpenGL/GeomOrbXYZ.c:2694 6386#: ../src/OpenGL/GeomOrbXYZ.c:2730 ../src/OpenGL/GeomOrbXYZ.c:2785 6387#: ../src/OpenGL/GeomOrbXYZ.c:2846 ../src/OpenGL/GeomOrbXYZ.c:2878 6388#: ../src/OpenGL/GeomOrbXYZ.c:2946 ../src/OpenGL/GeomOrbXYZ.c:3034 6389#: ../src/OpenGL/GeomOrbXYZ.c:3069 ../src/OpenGL/GeomOrbXYZ.c:3124 6390#: ../src/OpenGL/GeomOrbXYZ.c:3219 ../src/OpenGL/GeomOrbXYZ.c:3244 6391#: ../src/OpenGL/GeomOrbXYZ.c:3301 ../src/OpenGL/GridAdfDensity.c:741 6392#: ../src/OpenGL/GridAdfOrbitals.c:905 ../src/OpenGL/GridCube.c:794 6393#: ../src/OpenGL/GridCube.c:805 ../src/OpenGL/GridCube.c:1084 6394#: ../src/OpenGL/GridCube.c:1131 ../src/OpenGL/GridCube.c:1136 6395#: ../src/OpenGL/GridMolcas.c:914 ../src/OpenGL/GridMolcas.c:993 6396#: ../src/OpenGL/GridQChem.c:344 ../src/OpenGL/OrbitalsDalton.c:111 6397#: ../src/OpenGL/OrbitalsDalton.c:138 ../src/OpenGL/OrbitalsDalton.c:191 6398#: ../src/OpenGL/OrbitalsGamess.c:136 ../src/OpenGL/OrbitalsGamess.c:167 6399#: ../src/OpenGL/OrbitalsGamess.c:1216 ../src/OpenGL/OrbitalsMopac.c:1246 6400#: ../src/OpenGL/OrbitalsQChem.c:136 ../src/OpenGL/OrbitalsQChem.c:158 6401#: ../src/OpenGL/OrbitalsQChem.c:1255 ../src/OpenGL/StatusOrb.c:245 6402#: ../src/OpenGL/Vibration.c:1019 ../src/OpenGL/Vibration.c:1044 6403#: ../src/OpenGL/Vibration.c:1081 ../src/OpenGL/Vibration.c:1782 6404#: ../src/OpenGL/Vibration.c:1828 ../src/OpenGL/Vibration.c:1870 6405#: ../src/OpenGL/Vibration.c:2084 ../src/OpenGL/Vibration.c:2107 6406#: ../src/OpenGL/Vibration.c:2153 ../src/OpenGL/Vibration.c:2518 6407#: ../src/OpenGL/Vibration.c:2540 ../src/OpenGL/Vibration.c:2585 6408#: ../src/OpenGL/Vibration.c:3052 ../src/OpenGL/Vibration.c:3108 6409#: ../src/OpenGL/Vibration.c:3151 6410msgid "Geometry" 6411msgstr "" 6412 6413#: ../src/Molpro/MInterfaceGeom.c:87 6414msgid " Symmetry : " 6415msgstr "" 6416 6417#: ../src/Molpro/MInterfaceGeom.c:111 6418msgid " Options : " 6419msgstr "" 6420 6421#: ../src/Molpro/MInterfaceGeom.c:119 ../src/Molpro/Molpro.c:371 6422#: ../src/Molpro/Molpro.c:467 6423msgid "none" 6424msgstr "" 6425 6426#: ../src/Molpro/Molpro.c:99 6427msgid "Numerical zero" 6428msgstr "" 6429 6430#: ../src/Molpro/Molpro.c:100 6431msgid "Threshold for one-electron integrals" 6432msgstr "" 6433 6434#: ../src/Molpro/Molpro.c:101 6435msgid "Threshold for the neglect of two-electron integrals" 6436msgstr "" 6437 6438#: ../src/Molpro/Molpro.c:102 6439msgid "Threshold for test of prefactor in TWOINT" 6440msgstr "" 6441 6442#: ../src/Molpro/Molpro.c:103 6443msgid "Threshold for orbital localization" 6444msgstr "" 6445 6446#: ../src/Molpro/Molpro.c:104 6447msgid "Threshold for reordering of orbital after localization" 6448msgstr "" 6449 6450#: ../src/Molpro/Molpro.c:105 6451msgid "Convergence threshold for energy" 6452msgstr "" 6453 6454#: ../src/Molpro/Molpro.c:106 6455msgid "Convergence threshold for orbital gradient in MCSCF" 6456msgstr "" 6457 6458#: ../src/Molpro/Molpro.c:107 6459msgid "Convergence threshold for step length in MCSCF orbital optimization" 6460msgstr "" 6461 6462#: ../src/Molpro/Molpro.c:108 6463msgid "Convergence threshold for orbital optimization in the SCF program" 6464msgstr "" 6465 6466#: ../src/Molpro/Molpro.c:109 6467msgid "" 6468"Convergence threshold for CI coefficients in MCSCF and reference vector in CI" 6469msgstr "" 6470 6471#: ../src/Molpro/Molpro.c:110 6472msgid "Convergence threshold for coefficients in CI and CCSD" 6473msgstr "" 6474 6475#: ../src/Molpro/Molpro.c:111 6476msgid "Threshold for printing CI coefficients" 6477msgstr "" 6478 6479#: ../src/Molpro/Molpro.c:112 6480msgid "Threshold for punching CI coefficients" 6481msgstr "" 6482 6483#: ../src/Molpro/Molpro.c:663 ../src/Molpro/Molpro.c:737 6484msgid "molpro input" 6485msgstr "" 6486 6487#: ../src/Molpro/Molpro.c:665 ../src/Molpro/Molpro.c:739 6488msgid " Molpro input " 6489msgstr "" 6490 6491#: ../src/Molpro/MolproBasisLibrary.c:526 6492#, c-format 6493msgid "Do you want to really delete \"%s\" basis for \"%s\" atom ?" 6494msgstr "" 6495 6496#: ../src/Molpro/MolproBasisLibrary.c:619 6497#, c-format 6498msgid "Do you want to really delete \"%s\" atom ?" 6499msgstr "" 6500 6501#: ../src/Molpro/MolproBasisLibrary.c:952 6502msgid " Basis Name : " 6503msgstr "" 6504 6505#: ../src/Molpro/MolproBasisLibrary.c:1212 6506#: ../src/Molpro/MolproBasisLibrary.c:1236 6507#: ../src/Molpro/MolproBasisLibrary.c:1243 6508#: ../src/Molpro/MolproBasisLibrary.c:1258 ../src/Molpro/MolproLib.c:74 6509#, c-format 6510msgid "" 6511"Sorry the molprobasis is corrupted.\n" 6512"Please reinstall gabedit\n" 6513msgstr "" 6514 6515#: ../src/Molpro/MolproBasisLibrary.c:1291 6516msgid "Set Molpro Basis" 6517msgstr "" 6518 6519#: ../src/Mopac/Mopac.c:167 6520msgid "Mopac input" 6521msgstr "" 6522 6523#: ../src/Mopac/Mopac.c:170 6524msgid " Mopac input " 6525msgstr "" 6526 6527#: ../src/Mopac/MopacMolecule.c:968 6528#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:1909 6529msgid "Reaction path" 6530msgstr "" 6531 6532#: ../src/Mopac/MopacMolecule.c:992 6533#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:1933 6534msgid "Nb points" 6535msgstr "" 6536 6537#: ../src/Mopac/MopacMolecule.c:998 6538#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:1939 6539msgid "Step value" 6540msgstr "" 6541 6542#: ../src/Mopac/MopacMolecule.c:1006 6543#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:1947 6544msgid "First" 6545msgstr "" 6546 6547#: ../src/Mopac/MopacMolecule.c:1031 6548#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:1972 6549msgid "Second" 6550msgstr "" 6551 6552#: ../src/Mopac/MopacRem.c:416 ../src/Orca/OrcaKeywords.c:1092 6553#: ../src/QChem/QChemRem.c:621 6554msgid "Job Specification:" 6555msgstr "" 6556 6557#: ../src/Mopac/MopacRem.c:429 ../src/Orca/OrcaKeywords.c:1105 6558#: ../src/QChem/QChemRem.c:634 6559msgid "Job Type" 6560msgstr "" 6561 6562#: ../src/Mopac/MopacRem.c:442 6563msgid "Hamiltonian" 6564msgstr "" 6565 6566#: ../src/Mopac/MopacRem.c:454 6567msgid "Solvent" 6568msgstr "" 6569 6570#: ../src/MultiGrid/PoissonMG.c:212 6571#, c-format 6572msgid "Set boundaries using ewald sum\n" 6573msgstr "" 6574 6575#: ../src/MultiGrid/PoissonMG.c:336 6576#, c-format 6577msgid "Set boundaries using multipol approximation\n" 6578msgstr "" 6579 6580#: ../src/MultiGrid/PoissonMG.c:368 6581#, c-format 6582msgid "Total charge = %f\n" 6583msgstr "" 6584 6585#: ../src/MultiGrid/PoissonMG.c:708 6586#, c-format 6587msgid "MEP : Poisson by CG, rms = %f" 6588msgstr "" 6589 6590#: ../src/MultiGrid/PoissonMG.c:857 6591msgid "Solve Poisson equation by MultiGrid method, please wait" 6592msgstr "" 6593 6594#: ../src/MultiGrid/PoissonMG.c:870 6595#, c-format 6596msgid "MEP : Convergence after %d iterations" 6597msgstr "" 6598 6599#: ../src/MultiGrid/PoissonMG.c:875 6600#, c-format 6601msgid "MEP : Poisson by MultiGrid, rms = %f" 6602msgstr "" 6603 6604#: ../src/NetWork/Batch.c:252 6605msgid "Jobs to kill" 6606msgstr "" 6607 6608#: ../src/NetWork/Batch.c:326 6609msgid "Kill a jobs" 6610msgstr "" 6611 6612#: ../src/NetWork/Batch.c:336 ../src/NetWork/Process.c:694 6613msgid " Kill " 6614msgstr "" 6615 6616#: ../src/NetWork/Batch.c:563 ../src/NetWork/Process.c:377 6617msgid "Host name " 6618msgstr "" 6619 6620#: ../src/NetWork/Batch.c:576 ../src/NetWork/Process.c:390 6621msgid "Login " 6622msgstr "" 6623 6624#: ../src/NetWork/Batch.c:592 ../src/NetWork/Process.c:404 6625msgid "Password " 6626msgstr "" 6627 6628#: ../src/NetWork/Batch.c:633 6629msgid "Batch Jobs at remote host " 6630msgstr "" 6631 6632#: ../src/NetWork/Batch.c:645 6633msgid " Remote Batch Jobs " 6634msgstr "" 6635 6636#: ../src/NetWork/Batch.c:717 ../src/NetWork/Batch.c:873 6637#: ../src/NetWork/Process.c:1145 ../src/NetWork/Process.c:1219 6638msgid "Sorry, This option is available for unix system only" 6639msgstr "" 6640 6641#: ../src/NetWork/Batch.c:729 6642#, c-format 6643msgid "All Jobs in %s host " 6644msgstr "" 6645 6646#: ../src/NetWork/Batch.c:738 6647msgid "All Jobs in local host " 6648msgstr "" 6649 6650#: ../src/NetWork/Batch.c:797 6651msgid " List of Jobs " 6652msgstr "" 6653 6654#: ../src/NetWork/Batch.c:884 ../src/NetWork/Process.c:1230 6655msgid "Sorry, I can not obtain user name" 6656msgstr "" 6657 6658#: ../src/NetWork/Batch.c:919 ../src/NetWork/Process.c:1264 6659#: ../src/NetWork/Process.c:1271 6660#, c-format 6661msgid "Process in host : \"%s\" ; for user : \"%s\" " 6662msgstr "" 6663 6664#: ../src/NetWork/Batch.c:931 6665#, c-format 6666msgid "Jobs in host : \"%s\" ; for user : \"%s\" " 6667msgstr "" 6668 6669#: ../src/NetWork/Ftp.c:146 6670#, c-format 6671msgid "Get \"%s\" File from \"%s\" host : %%p%%%%" 6672msgstr "" 6673 6674#: ../src/NetWork/Ftp.c:183 6675#, c-format 6676msgid "Error in get_reply\n" 6677msgstr "" 6678 6679#: ../src/NetWork/Ftp.c:679 6680#, c-format 6681msgid "Get \"%s\" File from remote host : %%p%%" 6682msgstr "" 6683 6684#: ../src/NetWork/Ftp.c:690 6685msgid "Connecting...." 6686msgstr "" 6687 6688#: ../src/NetWork/Process.c:447 6689msgid "Process in remote host " 6690msgstr "" 6691 6692#: ../src/NetWork/Process.c:458 6693msgid " Remote Process " 6694msgstr "" 6695 6696#: ../src/NetWork/Process.c:514 6697msgid "Children Process" 6698msgstr "" 6699 6700#: ../src/NetWork/Process.c:544 6701msgid "Process to kill" 6702msgstr "" 6703 6704#: ../src/NetWork/Process.c:664 6705msgid "Kill all children process " 6706msgstr "" 6707 6708#: ../src/NetWork/Process.c:685 6709msgid "Kill a process" 6710msgstr "" 6711 6712#: ../src/NetWork/Process.c:1048 6713msgid " List of process " 6714msgstr "" 6715 6716#: ../src/NetWork/Process.c:1157 6717#, c-format 6718msgid "All process in %s host " 6719msgstr "" 6720 6721#: ../src/NetWork/Process.c:1166 6722msgid "All process in local host " 6723msgstr "" 6724 6725#: ../src/NetWork/Scp.c:103 ../src/NetWork/Scp.c:104 6726#, c-format 6727msgid "Sorry, I Cannot get file at remot host...\n" 6728msgstr "" 6729 6730#: ../src/NetWork/Scp.c:137 ../src/NetWork/Scp.c:313 ../src/NetWork/Ssh.c:132 6731#, c-format 6732msgid "Cannot start client thread...\n" 6733msgstr "" 6734 6735#: ../src/NetWork/Scp.c:160 ../src/NetWork/Scp.c:343 6736#, c-format 6737msgid "Download Stopped\n" 6738msgstr "" 6739 6740#: ../src/NetWork/Scp.c:192 6741#, c-format 6742msgid "Sorry, I Cannot put file at remot host...\n" 6743msgstr "" 6744 6745#: ../src/NetWork/Scp.c:212 6746#, c-format 6747msgid "Sorry, I Cannot put %s file at remot host...\n" 6748msgstr "" 6749 6750#: ../src/NetWork/Scp.c:236 ../src/NetWork/Scp.c:412 6751#, c-format 6752msgid "Get \"%s/%s\" file from \"%s\" host..." 6753msgstr "" 6754 6755#: ../src/NetWork/Scp.c:329 6756msgid "Sorry I can not stop download" 6757msgstr "" 6758 6759#: ../src/NetWork/Scp.c:376 6760#, c-format 6761msgid "Put %s/%s file at %s host..." 6762msgstr "" 6763 6764#: ../src/OpenGL/AnimationContours.c:134 ../src/OpenGL/AnimationGeomConv.c:588 6765#: ../src/OpenGL/AnimationPlanesMapped.c:98 6766#: ../src/OpenGL/AnimationRotation.c:96 6767msgid "Set folder" 6768msgstr "" 6769 6770#: ../src/OpenGL/AnimationContours.c:506 6771#: ../src/OpenGL/AnimationGeomConv.c:4326 6772#: ../src/OpenGL/AnimationIsoSurface.c:303 ../src/OpenGL/AnimationMD.c:2395 6773#: ../src/OpenGL/AnimationPlanesMapped.c:350 6774#: ../src/OpenGL/AnimationRotation.c:200 ../src/OpenGL/Vibration.c:4093 6775#, c-format 6776msgid "" 6777"\n" 6778"A series of gab*.%s files was created in \"%s\" directeory.\n" 6779"\n" 6780"\n" 6781"%s" 6782msgstr "" 6783 6784#: ../src/OpenGL/AnimationContours.c:593 6785#: ../src/OpenGL/AnimationIsoSurface.c:392 6786msgid " Min isovalue " 6787msgstr "" 6788 6789#: ../src/OpenGL/AnimationContours.c:605 6790#: ../src/OpenGL/AnimationIsoSurface.c:404 6791msgid " Max isovalue " 6792msgstr "" 6793 6794#: ../src/OpenGL/AnimationContours.c:617 6795#: ../src/OpenGL/AnimationGeomConv.c:4412 6796#: ../src/OpenGL/AnimationIsoSurface.c:416 ../src/OpenGL/AnimationMD.c:2480 6797#: ../src/OpenGL/AnimationPlanesMapped.c:437 6798#: ../src/OpenGL/AnimationRotation.c:324 ../src/OpenGL/Vibration.c:4202 6799msgid " Time step(s) " 6800msgstr "" 6801 6802#: ../src/OpenGL/AnimationContours.c:629 6803msgid " Number of Contours " 6804msgstr "" 6805 6806#: ../src/OpenGL/AnimationContours.c:641 6807#: ../src/OpenGL/AnimationIsoSurface.c:440 ../src/OpenGL/Contours.c:549 6808#: ../src/OpenGL/Contours.c:809 ../src/Utils/GabeditContoursPlot.c:1673 6809msgid "Linear scale" 6810msgstr "" 6811 6812#: ../src/OpenGL/AnimationContours.c:644 6813#: ../src/OpenGL/AnimationIsoSurface.c:443 ../src/OpenGL/Contours.c:551 6814#: ../src/OpenGL/Contours.c:811 ../src/Utils/GabeditContoursPlot.c:1675 6815msgid "logarithmic scale" 6816msgstr "" 6817 6818#: ../src/OpenGL/AnimationContours.c:744 6819#: ../src/OpenGL/AnimationGeomConv.c:4559 6820#: ../src/OpenGL/AnimationIsoSurface.c:561 ../src/OpenGL/AnimationMD.c:2627 6821#: ../src/OpenGL/AnimationPlanesMapped.c:525 6822#: ../src/OpenGL/AnimationRotation.c:425 6823#, c-format 6824msgid "The %s%sgab%d.%s file was created" 6825msgstr "" 6826 6827#: ../src/OpenGL/AnimationContours.c:872 6828#: ../src/OpenGL/AnimationIsoSurface.c:668 6829#: ../src/OpenGL/AnimationPlanesMapped.c:624 6830msgid "Sorry, Grid not define " 6831msgstr "" 6832 6833#: ../src/OpenGL/AnimationContours.c:880 6834msgid "contours animation" 6835msgstr "" 6836 6837#: ../src/OpenGL/AnimationGeomConv.c:263 ../src/OpenGL/AnimationGeomConv.c:499 6838#: ../src/OpenGL/AnimationGeomConv.c:544 ../src/OpenGL/AnimationMD.c:263 6839#: ../src/OpenGL/Vibration.c:419 6840#, c-format 6841msgid "" 6842"Sorry\n" 6843" I can not create %s file" 6844msgstr "" 6845 6846#: ../src/OpenGL/AnimationGeomConv.c:325 ../src/OpenGL/AnimationMD.c:293 6847#: ../src/OpenGL/Vibration.c:478 6848#, c-format 6849msgid "The %s file was created" 6850msgstr "" 6851 6852#: ../src/OpenGL/AnimationGeomConv.c:472 6853#, c-format 6854msgid "" 6855"In %s directory, the gabmg_*, rungabmg.sh and \n" 6856"rungabmg.bat files were created.\n" 6857"\n" 6858"gabmg_* is input files for gaussian. \n" 6859"rungabmg.bat is a batch file for run gaussian with gabmg_* input files\n" 6860"rungabmg.sh is a script for run gaussian with gabmg_* input files" 6861msgstr "" 6862 6863#: ../src/OpenGL/AnimationGeomConv.c:859 ../src/OpenGL/AnimationGeomConv.c:962 6864#: ../src/OpenGL/AnimationGeomConv.c:1210 6865#: ../src/OpenGL/AnimationGeomConv.c:1490 6866#: ../src/OpenGL/AnimationGeomConv.c:1546 6867#: ../src/OpenGL/AnimationGeomConv.c:1932 ../src/OpenGL/AnimationMD.c:862 6868#: ../src/OpenGL/GeomOrbXYZ.c:1301 ../src/OpenGL/GeomOrbXYZ.c:2096 6869#: ../src/OpenGL/GeomOrbXYZ.c:2224 ../src/OpenGL/GeomOrbXYZ.c:2461 6870#: ../src/OpenGL/OrbitalsDalton.c:134 6871#: ../src/VibrationalCorrections/GabeditGaussianInput.c:945 6872msgid "" 6873"Sorry\n" 6874"I can not read geometry in this file" 6875msgstr "" 6876 6877#: ../src/OpenGL/AnimationGeomConv.c:1030 6878#: ../src/OpenGL/AnimationGeomConv.c:1275 6879#: ../src/OpenGL/AnimationGeomConv.c:2301 6880#: ../src/OpenGL/AnimationGeomConv.c:2456 6881#: ../src/OpenGL/AnimationGeomConv.c:2578 6882#: ../src/OpenGL/AnimationGeomConv.c:2714 6883#: ../src/OpenGL/AnimationGeomConv.c:2860 6884#: ../src/OpenGL/AnimationGeomConv.c:3004 6885#: ../src/OpenGL/AnimationGeomConv.c:3148 6886#: ../src/OpenGL/AnimationGeomConv.c:3295 6887#: ../src/OpenGL/AnimationGeomConv.c:3444 ../src/OpenGL/AnimationMD.c:1246 6888#: ../src/OpenGL/AnimationMD.c:1541 ../src/OpenGL/AnimationMD.c:1626 6889#: ../src/OpenGL/GeomOrbXYZ.c:119 ../src/OpenGL/GeomOrbXYZ.c:268 6890#: ../src/OpenGL/GeomOrbXYZ.c:384 ../src/OpenGL/GeomOrbXYZ.c:504 6891#: ../src/OpenGL/GeomOrbXYZ.c:733 ../src/OpenGL/GeomOrbXYZ.c:922 6892#: ../src/OpenGL/GeomOrbXYZ.c:1145 ../src/OpenGL/GeomOrbXYZ.c:1280 6893#: ../src/OpenGL/GeomOrbXYZ.c:1305 ../src/OpenGL/GeomOrbXYZ.c:1399 6894#: ../src/OpenGL/GeomOrbXYZ.c:1425 ../src/OpenGL/GeomOrbXYZ.c:1731 6895#: ../src/OpenGL/GeomOrbXYZ.c:1766 ../src/OpenGL/GeomOrbXYZ.c:1912 6896#: ../src/OpenGL/GeomOrbXYZ.c:2073 ../src/OpenGL/GeomOrbXYZ.c:2100 6897#: ../src/OpenGL/GeomOrbXYZ.c:2201 ../src/OpenGL/GeomOrbXYZ.c:2229 6898#: ../src/OpenGL/GeomOrbXYZ.c:2318 ../src/OpenGL/GeomOrbXYZ.c:2357 6899#: ../src/OpenGL/GeomOrbXYZ.c:2507 ../src/OpenGL/GeomOrbXYZ.c:2691 6900#: ../src/OpenGL/GeomOrbXYZ.c:2728 ../src/OpenGL/GeomOrbXYZ.c:2843 6901#: ../src/OpenGL/GeomOrbXYZ.c:2876 ../src/OpenGL/GeomOrbXYZ.c:3027 6902#: ../src/OpenGL/GeomOrbXYZ.c:3067 ../src/OpenGL/GeomOrbXYZ.c:3210 6903#: ../src/OpenGL/GeomOrbXYZ.c:3242 ../src/OpenGL/GridAdfDensity.c:694 6904#: ../src/OpenGL/GridAdfOrbitals.c:874 ../src/OpenGL/GridCube.c:1328 6905#: ../src/OpenGL/GridCube.c:1337 ../src/OpenGL/GridCube.c:1346 6906#: ../src/OpenGL/GridCube.c:1355 ../src/OpenGL/GridCube.c:1370 6907#: ../src/OpenGL/GridCube.c:1378 ../src/OpenGL/GridCube.c:1585 6908#: ../src/OpenGL/GridCube.c:1594 ../src/OpenGL/GridCube.c:1603 6909#: ../src/OpenGL/GridCube.c:1612 ../src/OpenGL/GridCube.c:1627 6910#: ../src/OpenGL/GridCube.c:1635 ../src/OpenGL/GridMolcas.c:881 6911#: ../src/OpenGL/GridMolcas.c:945 ../src/OpenGL/GridQChem.c:316 6912#: ../src/OpenGL/Orbitals.c:1915 ../src/OpenGL/Orbitals.c:1923 6913#: ../src/OpenGL/Orbitals.c:1933 ../src/OpenGL/Orbitals.c:1979 6914#: ../src/OpenGL/Orbitals.c:2143 ../src/OpenGL/Orbitals.c:2151 6915#: ../src/OpenGL/Orbitals.c:2161 ../src/OpenGL/Orbitals.c:2179 6916#: ../src/OpenGL/Orbitals.c:2206 ../src/OpenGL/Orbitals.c:2213 6917#: ../src/OpenGL/Orbitals.c:2221 ../src/OpenGL/Orbitals.c:2278 6918#: ../src/OpenGL/Orbitals.c:2305 ../src/OpenGL/Orbitals.c:2313 6919#: ../src/OpenGL/Orbitals.c:2322 ../src/OpenGL/Orbitals.c:2399 6920#: ../src/OpenGL/OrbitalsDalton.c:108 ../src/OpenGL/OrbitalsDalton.c:136 6921#: ../src/OpenGL/OrbitalsDalton.c:563 ../src/OpenGL/OrbitalsGamess.c:130 6922#: ../src/OpenGL/OrbitalsGamess.c:165 ../src/OpenGL/OrbitalsGamess.c:1133 6923#: ../src/OpenGL/OrbitalsGamess.c:1160 ../src/OpenGL/OrbitalsGamess.c:1175 6924#: ../src/OpenGL/OrbitalsGamess.c:1188 ../src/OpenGL/OrbitalsGamess.c:1294 6925#: ../src/OpenGL/OrbitalsMolpro.c:1606 ../src/OpenGL/OrbitalsMolpro.c:1766 6926#: ../src/OpenGL/OrbitalsMopac.c:1200 ../src/OpenGL/OrbitalsMopac.c:1211 6927#: ../src/OpenGL/OrbitalsMopac.c:1230 ../src/OpenGL/OrbitalsMopac.c:1301 6928#: ../src/OpenGL/OrbitalsOrca.c:71 ../src/OpenGL/OrbitalsOrca.c:697 6929#: ../src/OpenGL/OrbitalsOrca.c:705 ../src/OpenGL/OrbitalsOrca.c:714 6930#: ../src/OpenGL/OrbitalsOrca.c:759 ../src/OpenGL/OrbitalsQChem.c:130 6931#: ../src/OpenGL/OrbitalsQChem.c:156 ../src/OpenGL/OrbitalsQChem.c:1169 6932#: ../src/OpenGL/OrbitalsQChem.c:1187 ../src/OpenGL/OrbitalsQChem.c:1196 6933#: ../src/OpenGL/OrbitalsQChem.c:1210 ../src/OpenGL/OrbitalsQChem.c:1223 6934#: ../src/OpenGL/OrbitalsQChem.c:1337 ../src/OpenGL/StatusOrb.c:245 6935#: ../src/OpenGL/Vibration.c:525 ../src/OpenGL/Vibration.c:1016 6936#: ../src/OpenGL/Vibration.c:1042 ../src/OpenGL/Vibration.c:1779 6937#: ../src/OpenGL/Vibration.c:1826 ../src/OpenGL/Vibration.c:2078 6938#: ../src/OpenGL/Vibration.c:2105 ../src/OpenGL/Vibration.c:2512 6939#: ../src/OpenGL/Vibration.c:2538 ../src/OpenGL/Vibration.c:3049 6940#: ../src/OpenGL/Vibration.c:3106 ../src/SemiEmpirical/SemiEmpiricalDlg.c:2144 6941msgid "File name" 6942msgstr "" 6943 6944#: ../src/OpenGL/AnimationGeomConv.c:1032 6945#: ../src/OpenGL/AnimationGeomConv.c:1277 6946#: ../src/OpenGL/AnimationGeomConv.c:2303 6947#: ../src/OpenGL/AnimationGeomConv.c:2304 6948#: ../src/OpenGL/AnimationGeomConv.c:2458 6949#: ../src/OpenGL/AnimationGeomConv.c:2580 6950#: ../src/OpenGL/AnimationGeomConv.c:2716 6951#: ../src/OpenGL/AnimationGeomConv.c:2862 6952#: ../src/OpenGL/AnimationGeomConv.c:3006 6953#: ../src/OpenGL/AnimationGeomConv.c:3150 6954#: ../src/OpenGL/AnimationGeomConv.c:3297 6955#: ../src/OpenGL/AnimationGeomConv.c:3446 ../src/OpenGL/AnimationMD.c:1249 6956#: ../src/OpenGL/AnimationMD.c:1544 ../src/OpenGL/AnimationMD.c:1628 6957#: ../src/OpenGL/GeomOrbXYZ.c:120 ../src/OpenGL/GeomOrbXYZ.c:270 6958#: ../src/OpenGL/GeomOrbXYZ.c:271 ../src/OpenGL/GeomOrbXYZ.c:386 6959#: ../src/OpenGL/GeomOrbXYZ.c:506 ../src/OpenGL/GeomOrbXYZ.c:735 6960#: ../src/OpenGL/GeomOrbXYZ.c:924 ../src/OpenGL/GeomOrbXYZ.c:1148 6961#: ../src/OpenGL/GeomOrbXYZ.c:1150 ../src/OpenGL/GeomOrbXYZ.c:1282 6962#: ../src/OpenGL/GeomOrbXYZ.c:1306 ../src/OpenGL/GeomOrbXYZ.c:1401 6963#: ../src/OpenGL/GeomOrbXYZ.c:1426 ../src/OpenGL/GeomOrbXYZ.c:1733 6964#: ../src/OpenGL/GeomOrbXYZ.c:1767 ../src/OpenGL/GeomOrbXYZ.c:1914 6965#: ../src/OpenGL/GeomOrbXYZ.c:2075 ../src/OpenGL/GeomOrbXYZ.c:2101 6966#: ../src/OpenGL/GeomOrbXYZ.c:2203 ../src/OpenGL/GeomOrbXYZ.c:2230 6967#: ../src/OpenGL/GeomOrbXYZ.c:2320 ../src/OpenGL/GeomOrbXYZ.c:2358 6968#: ../src/OpenGL/GeomOrbXYZ.c:2509 ../src/OpenGL/GeomOrbXYZ.c:2693 6969#: ../src/OpenGL/GeomOrbXYZ.c:2729 ../src/OpenGL/GeomOrbXYZ.c:2845 6970#: ../src/OpenGL/GeomOrbXYZ.c:2877 ../src/OpenGL/GeomOrbXYZ.c:3029 6971#: ../src/OpenGL/GeomOrbXYZ.c:3068 ../src/OpenGL/GeomOrbXYZ.c:3212 6972#: ../src/OpenGL/GeomOrbXYZ.c:3243 ../src/OpenGL/GridAdfDensity.c:696 6973#: ../src/OpenGL/GridAdfOrbitals.c:876 ../src/OpenGL/GridCube.c:1323 6974#: ../src/OpenGL/GridCube.c:1329 ../src/OpenGL/GridCube.c:1338 6975#: ../src/OpenGL/GridCube.c:1347 ../src/OpenGL/GridCube.c:1356 6976#: ../src/OpenGL/GridCube.c:1371 ../src/OpenGL/GridCube.c:1379 6977#: ../src/OpenGL/GridCube.c:1562 ../src/OpenGL/GridCube.c:1570 6978#: ../src/OpenGL/GridCube.c:1578 ../src/OpenGL/GridCube.c:1586 6979#: ../src/OpenGL/GridCube.c:1595 ../src/OpenGL/GridCube.c:1604 6980#: ../src/OpenGL/GridCube.c:1613 ../src/OpenGL/GridCube.c:1628 6981#: ../src/OpenGL/GridCube.c:1636 ../src/OpenGL/GridMolcas.c:883 6982#: ../src/OpenGL/GridMolcas.c:947 ../src/OpenGL/GridQChem.c:318 6983#: ../src/OpenGL/Orbitals.c:1917 ../src/OpenGL/Orbitals.c:1924 6984#: ../src/OpenGL/Orbitals.c:1934 ../src/OpenGL/Orbitals.c:1980 6985#: ../src/OpenGL/Orbitals.c:2145 ../src/OpenGL/Orbitals.c:2152 6986#: ../src/OpenGL/Orbitals.c:2162 ../src/OpenGL/Orbitals.c:2180 6987#: ../src/OpenGL/Orbitals.c:2208 ../src/OpenGL/Orbitals.c:2214 6988#: ../src/OpenGL/Orbitals.c:2222 ../src/OpenGL/Orbitals.c:2279 6989#: ../src/OpenGL/Orbitals.c:2307 ../src/OpenGL/Orbitals.c:2314 6990#: ../src/OpenGL/Orbitals.c:2323 ../src/OpenGL/Orbitals.c:2400 6991#: ../src/OpenGL/OrbitalsDalton.c:110 ../src/OpenGL/OrbitalsDalton.c:137 6992#: ../src/OpenGL/OrbitalsDalton.c:564 ../src/OpenGL/OrbitalsGamess.c:132 6993#: ../src/OpenGL/OrbitalsGamess.c:166 ../src/OpenGL/OrbitalsGamess.c:1135 6994#: ../src/OpenGL/OrbitalsGamess.c:1161 ../src/OpenGL/OrbitalsGamess.c:1176 6995#: ../src/OpenGL/OrbitalsGamess.c:1189 ../src/OpenGL/OrbitalsGamess.c:1295 6996#: ../src/OpenGL/OrbitalsMolpro.c:1607 ../src/OpenGL/OrbitalsMolpro.c:1767 6997#: ../src/OpenGL/OrbitalsMopac.c:1202 ../src/OpenGL/OrbitalsMopac.c:1212 6998#: ../src/OpenGL/OrbitalsMopac.c:1231 ../src/OpenGL/OrbitalsMopac.c:1302 6999#: ../src/OpenGL/OrbitalsOrca.c:73 ../src/OpenGL/OrbitalsOrca.c:699 7000#: ../src/OpenGL/OrbitalsOrca.c:706 ../src/OpenGL/OrbitalsOrca.c:715 7001#: ../src/OpenGL/OrbitalsOrca.c:760 ../src/OpenGL/OrbitalsQChem.c:132 7002#: ../src/OpenGL/OrbitalsQChem.c:157 ../src/OpenGL/OrbitalsQChem.c:1171 7003#: ../src/OpenGL/OrbitalsQChem.c:1188 ../src/OpenGL/OrbitalsQChem.c:1197 7004#: ../src/OpenGL/OrbitalsQChem.c:1211 ../src/OpenGL/OrbitalsQChem.c:1224 7005#: ../src/OpenGL/OrbitalsQChem.c:1338 ../src/OpenGL/StatusOrb.c:245 7006#: ../src/OpenGL/Vibration.c:1018 ../src/OpenGL/Vibration.c:1043 7007#: ../src/OpenGL/Vibration.c:1781 ../src/OpenGL/Vibration.c:1827 7008#: ../src/OpenGL/Vibration.c:2080 ../src/OpenGL/Vibration.c:2106 7009#: ../src/OpenGL/Vibration.c:2514 ../src/OpenGL/Vibration.c:2539 7010#: ../src/OpenGL/Vibration.c:3051 ../src/OpenGL/Vibration.c:3107 7011msgid "File type" 7012msgstr "" 7013 7014#: ../src/OpenGL/AnimationGeomConv.c:1138 7015#: ../src/OpenGL/AnimationGeomConv.c:2677 7016#: ../src/OpenGL/AnimationGeomConv.c:2800 7017#: ../src/OpenGL/AnimationGeomConv.c:2822 7018#: ../src/OpenGL/AnimationGeomConv.c:2944 7019#: ../src/OpenGL/AnimationGeomConv.c:2963 7020#: ../src/OpenGL/AnimationGeomConv.c:3093 7021#: ../src/OpenGL/AnimationGeomConv.c:3112 7022#: ../src/OpenGL/AnimationGeomConv.c:3258 7023#: ../src/OpenGL/AnimationGeomConv.c:3382 7024#: ../src/OpenGL/AnimationGeomConv.c:3401 7025#, c-format 7026msgid "" 7027"Sorry\n" 7028"I can not read energy or convergence parameters from %s file " 7029msgstr "" 7030 7031#: ../src/OpenGL/AnimationGeomConv.c:1340 7032#: ../src/OpenGL/AnimationGeomConv.c:2375 7033#, c-format 7034msgid "" 7035"Sorry\n" 7036"I can not read energy from %s file " 7037msgstr "" 7038 7039#: ../src/OpenGL/AnimationGeomConv.c:1780 7040msgid "" 7041"Sorry\n" 7042"I can not read the symbol of atoms from this file" 7043msgstr "" 7044 7045#: ../src/OpenGL/AnimationGeomConv.c:1815 ../src/OpenGL/GeomOrbXYZ.c:2725 7046#: ../src/OpenGL/GeomOrbXYZ.c:2873 7047#, c-format 7048msgid "" 7049"Sorry\n" 7050"I can not read geometry in %s file " 7051msgstr "" 7052 7053#: ../src/OpenGL/AnimationGeomConv.c:2003 7054#: ../src/OpenGL/AnimationGeomConv.c:2310 7055#: ../src/OpenGL/AnimationGeomConv.c:2464 ../src/OpenGL/AnimationMD.c:1634 7056#: ../src/OpenGL/GeomOrbXYZ.c:2819 7057#, c-format 7058msgid "" 7059"Sorry\n" 7060"I can not open %s file " 7061msgstr "" 7062 7063#: ../src/OpenGL/AnimationGeomConv.c:2083 ../src/OpenGL/AnimationMD.c:981 7064#: ../src/OpenGL/AnimationMD.c:1029 ../src/OpenGL/Vibration.c:877 7065#, c-format 7066msgid "Sorry, I can not create '%s' file\n" 7067msgstr "" 7068 7069#: ../src/OpenGL/AnimationGeomConv.c:3183 7070#, c-format 7071msgid " Error : No Geometry optimization in %s file\n" 7072msgstr "" 7073 7074#: ../src/OpenGL/AnimationGeomConv.c:3495 7075#, c-format 7076msgid "" 7077"Sorry\n" 7078"I can not read geometries from %s file " 7079msgstr "" 7080 7081#: ../src/OpenGL/AnimationGeomConv.c:3900 ../src/OpenGL/AnimationMD.c:1826 7082#: ../src/OpenGL/Orbitals.c:2586 ../src/OpenGL/Vibration.c:4823 7083msgid "Sorry, I cannot find the type of your file\n" 7084msgstr "" 7085 7086#: ../src/OpenGL/AnimationGeomConv.c:3909 ../src/OpenGL/AnimationMD.c:1835 7087msgid "Read geometries from a Gabedit file" 7088msgstr "" 7089 7090#: ../src/OpenGL/AnimationGeomConv.c:3918 7091msgid "Read geometries from a Molden file" 7092msgstr "" 7093 7094#: ../src/OpenGL/AnimationGeomConv.c:3926 7095msgid "Read geometries from a Dalton output file" 7096msgstr "" 7097 7098#: ../src/OpenGL/AnimationGeomConv.c:3934 7099msgid "Read geometries from a Gamess output file" 7100msgstr "" 7101 7102#: ../src/OpenGL/AnimationGeomConv.c:3942 7103msgid "Read geometries from a Gamess IRC file" 7104msgstr "" 7105 7106#: ../src/OpenGL/AnimationGeomConv.c:3950 ../src/OpenGL/AnimationMD.c:1844 7107msgid "Read geometries from a Gaussian output file" 7108msgstr "" 7109 7110#: ../src/OpenGL/AnimationGeomConv.c:3958 7111msgid "Read geometries from a Molpro log file" 7112msgstr "" 7113 7114#: ../src/OpenGL/AnimationGeomConv.c:3966 7115msgid "Read geometries from a MPQC output file" 7116msgstr "" 7117 7118#: ../src/OpenGL/AnimationGeomConv.c:3974 7119msgid "Read geometries from a Mopac aux file" 7120msgstr "" 7121 7122#: ../src/OpenGL/AnimationGeomConv.c:3982 7123msgid "Read geometries from a Q-Chem output file" 7124msgstr "" 7125 7126#: ../src/OpenGL/AnimationGeomConv.c:3990 7127msgid "Read geometries from a XYZ file" 7128msgstr "" 7129 7130#: ../src/OpenGL/AnimationGeomConv.c:3998 7131msgid "Read geometries from a multiple hyperchem files" 7132msgstr "" 7133 7134#: ../src/OpenGL/AnimationGeomConv.c:4008 7135msgid "Read geometries from a file" 7136msgstr "" 7137 7138#: ../src/OpenGL/AnimationGeomConv.c:4079 7139msgid "Save geometry convergences in gabedit file format" 7140msgstr "" 7141 7142#: ../src/OpenGL/AnimationGeomConv.c:4093 7143msgid "Save geometries in a mobcal input file" 7144msgstr "" 7145 7146#: ../src/OpenGL/AnimationGeomConv.c:4434 7147#: ../src/OpenGL/AnimationIsoSurface.c:488 ../src/OpenGL/AnimationMD.c:2502 7148#: ../src/OpenGL/AnimationPlanesMapped.c:456 7149#: ../src/OpenGL/AnimationRotation.c:355 ../src/OpenGL/Vibration.c:4248 7150msgid "Create a film" 7151msgstr "" 7152 7153#: ../src/OpenGL/AnimationGeomConv.c:4449 7154#: ../src/OpenGL/AnimationPlanesMapped.c:471 7155#: ../src/OpenGL/AnimationRotation.c:370 ../src/OpenGL/CaptureOrbitals.c:574 7156#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4257 7157#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4774 7158msgid "Folder" 7159msgstr "" 7160 7161#: ../src/OpenGL/AnimationGeomConv.c:4474 7162#: ../src/OpenGL/AnimationPlanesMapped.c:495 7163#: ../src/OpenGL/AnimationRotation.c:394 ../src/Utils/UtilsInterface.c:584 7164#: ../src/Utils/UtilsInterface.c:585 7165msgid "Play" 7166msgstr "" 7167 7168#: ../src/OpenGL/AnimationGeomConv.c:4481 7169#: ../src/OpenGL/AnimationPlanesMapped.c:502 7170#: ../src/OpenGL/AnimationRotation.c:401 ../src/Utils/UtilsInterface.c:581 7171#: ../src/Utils/UtilsInterface.c:582 7172msgid "Stop" 7173msgstr "" 7174 7175#: ../src/OpenGL/AnimationGeomConv.c:4665 7176#, c-format 7177msgid "" 7178" You can read more geometries from :\n" 7179" * a Gabedit input file.\n" 7180" * a Dalton output file.\n" 7181" * a Gamess output file.\n" 7182" * a Gamess IRC file.\n" 7183" * a Gaussian output file.\n" 7184" * a Molpro log file.\n" 7185" * a Mopac aux file.\n" 7186" * a MPQC output file.\n" 7187" * a FireFly output file.\n" 7188" * a Q-Chem output file.\n" 7189" * a Molden input file.\n" 7190" * a XYZ file.\n" 7191" * multiple Hyperchem files.\n" 7192msgstr "" 7193 7194#: ../src/OpenGL/AnimationGeomConv.c:4734 ../src/OpenGL/AnimationMD.c:2035 7195msgid " Directory " 7196msgstr "" 7197 7198#: ../src/OpenGL/AnimationGeomConv.c:4770 ../src/OpenGL/AnimationMD.c:2071 7199msgid " Keywords " 7200msgstr "" 7201 7202#: ../src/OpenGL/AnimationGeomConv.c:4792 ../src/OpenGL/AnimationMD.c:2093 7203#: ../src/OpenGL/Vibration.c:618 7204msgid "check file" 7205msgstr "" 7206 7207#: ../src/OpenGL/AnimationGeomConv.c:4847 ../src/OpenGL/Vibration.c:675 7208msgid "" 7209"Sorry\n" 7210" You should read the geometries befor" 7211msgstr "" 7212 7213#: ../src/OpenGL/AnimationGeomConv.c:4890 7214msgid "" 7215" For create an animated file :\n" 7216" ============================\n" 7217" 1) Read geometries from a Dalton, Gaussian, Molpro, Gabedit, Molden, MPQC " 7218"or from XYZ file.\n" 7219" 2) Select \"create a series of BMP (or PPM or POV) images\" button.\n" 7220" You can select your favorite directory by clicking to \"Directory\" " 7221"button.\n" 7222" 3) Click to Play button.\n" 7223" 4) After on cycle Gabedit create a series of BMP(gab*.bmp) or PPM (gab*." 7224"ppm) or POV(gab*.pov) files.\n" 7225" From these files, you can create a gif or a png animated file using " 7226"convert software.\n" 7227" with \"convert -delay 10 -loop 1000 gab*.bmp imageAnim.gif\" " 7228"command you can create a gif animated file.\n" 7229" with \"convert -delay 10 -loop 1000 gab*.bmp imageAnim.mng\" " 7230"command you can create a png animated file.\n" 7231"\n" 7232" For gab*.pov files :\n" 7233" You must initially create files gab*.bmp using gab*.pov files.\n" 7234" Then you can create the animated file using gab*.bmp file.\n" 7235"\n" 7236" You can use the xPovAnim script (from utils/povray directory) " 7237"for create the gif animated file from gab*.pov files.\n" 7238"\n" 7239" convert is a free software. You can download this(for any " 7240"system) from http://www.imagemagick.org\n" 7241" povray is a free software. You can download this(for any system) " 7242"from http://www.povray.org\n" 7243"\n" 7244msgstr "" 7245 7246#: ../src/OpenGL/AnimationIsoSurface.c:428 7247msgid " Number of IsoSurface by cycle" 7248msgstr "" 7249 7250#: ../src/OpenGL/AnimationMD.c:383 7251#, c-format 7252msgid "" 7253"In %s directory, the gabmd_* and rungabmd.sh files were created.\n" 7254"gabmd_* is input files for gaussian. \n" 7255"rungabmd.sh is a script for run gaussian with gabmd_* input files" 7256msgstr "" 7257 7258#: ../src/OpenGL/AnimationMD.c:1254 ../src/OpenGL/AnimationMD.c:1549 7259#, c-format 7260msgid " Error : I can not read %s file \n" 7261msgstr "" 7262 7263#: ../src/OpenGL/AnimationMD.c:1275 ../src/OpenGL/AnimationMD.c:1570 7264#, c-format 7265msgid " Error : I can not read the first geometry from %s file\n" 7266msgstr "" 7267 7268#: ../src/OpenGL/AnimationMD.c:1299 ../src/OpenGL/AnimationMD.c:1594 7269#, c-format 7270msgid " Error : I can not read step number %d from %s file\n" 7271msgstr "" 7272 7273#: ../src/OpenGL/AnimationMD.c:1852 7274msgid "Read geometries from a Gamess trj file" 7275msgstr "" 7276 7277#: ../src/OpenGL/AnimationMD.c:1940 7278msgid "Save velocity-velocity autocorrelation function" 7279msgstr "" 7280 7281#: ../src/OpenGL/AnimationMD.c:1966 7282msgid "Save geometries in gabedit file format" 7283msgstr "" 7284 7285#: ../src/OpenGL/AnimationMD.c:2733 7286#, c-format 7287msgid "" 7288" You can read more geometries from :\n" 7289" * a Gabedit input file.\n" 7290" * a Gamess/FireFly TRJ file.\n" 7291" * a Gaussian output file.\n" 7292msgstr "" 7293 7294#: ../src/OpenGL/AnimationMD.c:2749 7295msgid "" 7296" For create an animated file :\n" 7297" ============================\n" 7298" 1) Read geometries from a Gaussian, Gamess TRJ, FireFly TRJ or from " 7299"Gabedit file.\n" 7300" 2) Select \"create a series of BMP (or PPM or POV) images\" button.\n" 7301" You can select your favorite directory by clicking to \"Directory\" " 7302"button.\n" 7303" 3) Click to Play button.\n" 7304" 4) After on cycle Gabedit create a series of BMP(gab*.bmp) or PPM (gab*." 7305"ppm) or POV(gab*.pov) files.\n" 7306" From these files, you can create a gif or a png animated file using " 7307"convert software.\n" 7308" with \"convert -delay 10 -loop 1000 gab*.bmp imageAnim.gif\" " 7309"command you can create a gif animated file.\n" 7310" with \"convert -delay 10 -loop 1000 gab*.bmp imageAnim.mng\" " 7311"command you can create a png animated file.\n" 7312"\n" 7313" For gab*.pov files :\n" 7314" You must initially create files gab*.bmp using gab*.pov files.\n" 7315" Then you can create the animated file using gab*.bmp file.\n" 7316"\n" 7317" You can use the xPovAnim script (from utils/povray directory) " 7318"for create the gif animated file from gab*.pov files.\n" 7319"\n" 7320" convert is a free software. You can download this(for any " 7321"system) from http://www.imagemagick.org\n" 7322" povray is a free software. You can download this(for any system) " 7323"from http://www.povray.org\n" 7324"\n" 7325msgstr "" 7326 7327#: ../src/OpenGL/AnimationPlanesMapped.c:277 7328msgid "First direction" 7329msgstr "" 7330 7331#: ../src/OpenGL/AnimationPlanesMapped.c:284 ../src/OpenGL/GridPlans.c:450 7332msgid "Second direction" 7333msgstr "" 7334 7335#: ../src/OpenGL/AnimationPlanesMapped.c:290 7336msgid "Third direction" 7337msgstr "" 7338 7339#: ../src/OpenGL/AnimationPlanesMapped.c:631 7340msgid "Planes colorcoed animation" 7341msgstr "" 7342 7343#: ../src/OpenGL/AnimationRotation.c:292 7344msgid "Rotation about X axis" 7345msgstr "" 7346 7347#: ../src/OpenGL/AnimationRotation.c:299 7348msgid "Rotation about Y axis " 7349msgstr "" 7350 7351#: ../src/OpenGL/AnimationRotation.c:305 7352msgid "Rotation about Z axis " 7353msgstr "" 7354 7355#: ../src/OpenGL/AnimationRotation.c:336 7356msgid " Number of Rotation by cycle" 7357msgstr "" 7358 7359#: ../src/OpenGL/AnimationRotation.c:511 7360msgid "Sorry, the number of atoms can not <1" 7361msgstr "" 7362 7363#: ../src/OpenGL/AnimationRotation.c:519 7364msgid "Rotation animation" 7365msgstr "" 7366 7367#: ../src/OpenGL/AtomicOrbitals.c:247 ../src/OpenGL/AtomicOrbitals.c:545 7368#: ../src/OpenGL/AtomicOrbitals.c:576 ../src/OpenGL/AtomicOrbitals.c:582 7369#: ../src/OpenGL/StatusOrb.c:246 7370msgid "At. Orb." 7371msgstr "" 7372 7373#: ../src/OpenGL/AtomicOrbitals.c:276 ../src/OpenGL/Orbitals.c:1337 7374#: ../src/OpenGL/Orbitals.c:1738 ../src/OpenGL/OrbitalsDalton.c:208 7375#: ../src/OpenGL/OrbitalsDalton.c:298 ../src/OpenGL/OrbitalsGamess.c:377 7376#: ../src/OpenGL/OrbitalsGamess.c:765 ../src/OpenGL/OrbitalsMolpro.c:576 7377#: ../src/OpenGL/OrbitalsMolpro.c:864 ../src/OpenGL/OrbitalsMolpro.c:1174 7378#: ../src/OpenGL/OrbitalsMopac.c:112 ../src/OpenGL/OrbitalsMopac.c:153 7379#: ../src/OpenGL/OrbitalsMopac.c:215 ../src/OpenGL/OrbitalsMopac.c:258 7380#: ../src/OpenGL/OrbitalsMopac.c:293 ../src/OpenGL/OrbitalsMopac.c:326 7381#: ../src/OpenGL/OrbitalsOrca.c:551 ../src/OpenGL/OrbitalsQChem.c:439 7382#: ../src/OpenGL/OrbitalsQChem.c:829 7383msgid "Sorry No file selected\n" 7384msgstr "" 7385 7386#: ../src/OpenGL/AtomicOrbitals.c:285 ../src/OpenGL/Orbitals.c:1346 7387#: ../src/OpenGL/Orbitals.c:1747 ../src/OpenGL/Orbitals.c:1780 7388#: ../src/OpenGL/OrbitalsDalton.c:216 ../src/OpenGL/OrbitalsDalton.c:306 7389#: ../src/OpenGL/OrbitalsGamess.c:385 ../src/OpenGL/OrbitalsGamess.c:774 7390#: ../src/OpenGL/OrbitalsMolpro.c:584 ../src/OpenGL/OrbitalsMolpro.c:874 7391#: ../src/OpenGL/OrbitalsMopac.c:120 ../src/OpenGL/OrbitalsMopac.c:161 7392#: ../src/OpenGL/OrbitalsMopac.c:223 ../src/OpenGL/OrbitalsMopac.c:266 7393#: ../src/OpenGL/OrbitalsMopac.c:301 ../src/OpenGL/OrbitalsMopac.c:334 7394#: ../src/OpenGL/OrbitalsOrca.c:330 ../src/OpenGL/OrbitalsOrca.c:560 7395#: ../src/OpenGL/OrbitalsQChem.c:447 ../src/OpenGL/OrbitalsQChem.c:838 7396#: ../src/OpenGL/UtilsOrb.c:224 ../src/OpenGL/UtilsOrb.c:347 7397#: ../src/OpenGL/UtilsOrb.c:391 ../src/OpenGL/UtilsOrb.c:444 7398#: ../src/OpenGL/UtilsOrb.c:497 ../src/OpenGL/UtilsOrb.c:537 7399#: ../src/OpenGL/Vibration.c:1646 ../src/OpenGL/Vibration.c:1697 7400#: ../src/OpenGL/Vibration.c:2011 ../src/OpenGL/Vibration.c:3305 7401#: ../src/OpenGL/Vibration.c:3351 ../src/OpenGL/Vibration.c:3395 7402#, c-format 7403msgid "Sorry, I can not open '%s' file\n" 7404msgstr "" 7405 7406#: ../src/OpenGL/AtomicOrbitals.c:545 ../src/OpenGL/GeomOrbXYZ.c:507 7407#: ../src/OpenGL/GeomOrbXYZ.c:736 ../src/OpenGL/GeomOrbXYZ.c:925 7408#: ../src/OpenGL/GeomOrbXYZ.c:1151 ../src/OpenGL/GeomOrbXYZ.c:1283 7409#: ../src/OpenGL/GeomOrbXYZ.c:1405 ../src/OpenGL/GeomOrbXYZ.c:1737 7410#: ../src/OpenGL/GeomOrbXYZ.c:1923 ../src/OpenGL/GeomOrbXYZ.c:2079 7411#: ../src/OpenGL/GeomOrbXYZ.c:2207 ../src/OpenGL/GeomOrbXYZ.c:2327 7412#: ../src/OpenGL/GeomOrbXYZ.c:2510 ../src/OpenGL/GeomOrbXYZ.c:2694 7413#: ../src/OpenGL/GeomOrbXYZ.c:2846 ../src/OpenGL/GeomOrbXYZ.c:3034 7414#: ../src/OpenGL/GeomOrbXYZ.c:3219 ../src/OpenGL/GridCube.c:1084 7415#: ../src/OpenGL/Orbitals.c:1918 ../src/OpenGL/Orbitals.c:1929 7416#: ../src/OpenGL/Orbitals.c:2146 ../src/OpenGL/Orbitals.c:2157 7417#: ../src/OpenGL/Orbitals.c:2209 ../src/OpenGL/Orbitals.c:2308 7418#: ../src/OpenGL/OrbitalsDalton.c:111 ../src/OpenGL/OrbitalsGamess.c:136 7419#: ../src/OpenGL/OrbitalsGamess.c:1136 ../src/OpenGL/OrbitalsGamess.c:1181 7420#: ../src/OpenGL/OrbitalsMolpro.c:868 7421msgid "Reading" 7422msgstr "" 7423 7424#: ../src/OpenGL/AtomicOrbitals.c:576 ../src/OpenGL/GeomOrbXYZ.c:562 7425#: ../src/OpenGL/GeomOrbXYZ.c:800 ../src/OpenGL/GeomOrbXYZ.c:989 7426#: ../src/OpenGL/GeomOrbXYZ.c:1222 ../src/OpenGL/GeomOrbXYZ.c:1358 7427#: ../src/OpenGL/GeomOrbXYZ.c:1484 ../src/OpenGL/GeomOrbXYZ.c:1836 7428#: ../src/OpenGL/GeomOrbXYZ.c:2033 ../src/OpenGL/GeomOrbXYZ.c:2157 7429#: ../src/OpenGL/GeomOrbXYZ.c:2288 ../src/OpenGL/GeomOrbXYZ.c:2427 7430#: ../src/OpenGL/GeomOrbXYZ.c:2584 ../src/OpenGL/GeomOrbXYZ.c:2785 7431#: ../src/OpenGL/GeomOrbXYZ.c:2946 ../src/OpenGL/GeomOrbXYZ.c:3124 7432#: ../src/OpenGL/GeomOrbXYZ.c:3301 ../src/OpenGL/Grid.c:648 7433#: ../src/OpenGL/Grid.c:671 ../src/OpenGL/Grid.c:692 ../src/OpenGL/Grid.c:708 7434#: ../src/OpenGL/Grid.c:724 ../src/OpenGL/Grid.c:746 7435#: ../src/OpenGL/GridAdfDensity.c:247 ../src/OpenGL/GridAdfDensity.c:741 7436#: ../src/OpenGL/GridAdfOrbitals.c:255 ../src/OpenGL/GridAdfOrbitals.c:905 7437#: ../src/OpenGL/GridCube.c:805 ../src/OpenGL/GridCube.c:831 7438#: ../src/OpenGL/GridCube.c:1131 ../src/OpenGL/GridMolcas.c:302 7439#: ../src/OpenGL/GridMolcas.c:363 ../src/OpenGL/GridMolcas.c:914 7440#: ../src/OpenGL/GridMolcas.c:917 ../src/OpenGL/GridMolcas.c:993 7441#: ../src/OpenGL/GridMolcas.c:996 ../src/OpenGL/GridQChem.c:344 7442#: ../src/OpenGL/GridQChem.c:427 ../src/OpenGL/GridQChem.c:505 7443#: ../src/OpenGL/Orbitals.c:1972 ../src/OpenGL/Orbitals.c:2172 7444#: ../src/OpenGL/Orbitals.c:2271 ../src/OpenGL/Orbitals.c:2391 7445#: ../src/OpenGL/OrbitalsDalton.c:191 ../src/OpenGL/OrbitalsGamess.c:1216 7446#: ../src/OpenGL/OrbitalsGamess.c:1286 ../src/OpenGL/OrbitalsMopac.c:1246 7447#: ../src/OpenGL/OrbitalsMopac.c:1279 ../src/OpenGL/OrbitalsOrca.c:747 7448#: ../src/OpenGL/OrbitalsQChem.c:1255 ../src/OpenGL/OrbitalsQChem.c:1329 7449#: ../src/OpenGL/Vibration.c:1081 ../src/OpenGL/Vibration.c:1870 7450#: ../src/OpenGL/Vibration.c:2153 ../src/OpenGL/Vibration.c:2585 7451#: ../src/OpenGL/Vibration.c:3151 7452msgid "Ok" 7453msgstr "" 7454 7455#: ../src/OpenGL/AxisGL.c:275 7456msgid "Set the axis parameters" 7457msgstr "" 7458 7459#: ../src/OpenGL/AxisGL.c:329 7460msgid "Color for the X axis" 7461msgstr "" 7462 7463#: ../src/OpenGL/AxisGL.c:355 7464msgid "Color for the Y axis" 7465msgstr "" 7466 7467#: ../src/OpenGL/AxisGL.c:385 7468msgid "Color for the Z axis" 7469msgstr "" 7470 7471#: ../src/OpenGL/AxisGL.c:411 ../src/OpenGL/PrincipalAxisGL.c:557 7472msgid "Show the negative part of the axes" 7473msgstr "" 7474 7475#: ../src/OpenGL/Basis.c:1124 ../src/OpenGL/Orbitals.c:2010 7476msgid "" 7477"Sorry\n" 7478"I can not read the number of basis functions" 7479msgstr "" 7480 7481#: ../src/OpenGL/Basis.c:1132 7482msgid "" 7483"Sorry\n" 7484"I can not the number of contracted shells" 7485msgstr "" 7486 7487#: ../src/OpenGL/Basis.c:1139 7488msgid "" 7489"Sorry\n" 7490"I can not the number of primitive shells" 7491msgstr "" 7492 7493#: ../src/OpenGL/Basis.c:1146 7494msgid "" 7495"Sorry\n" 7496"I can not the value of the highest angular momentum" 7497msgstr "" 7498 7499#: ../src/OpenGL/Basis.c:1153 7500msgid "" 7501"Sorry\n" 7502"I can not the value of the largest degree of contraction" 7503msgstr "" 7504 7505#: ../src/OpenGL/Basis.c:1160 7506msgid "" 7507"Sorry\n" 7508"I can not read the shell types" 7509msgstr "" 7510 7511#: ../src/OpenGL/Basis.c:1176 7512msgid "" 7513"Sorry\n" 7514"The number of basis function in fch file is not equal to that computed by " 7515"Gabedit!" 7516msgstr "" 7517 7518#: ../src/OpenGL/Basis.c:1184 7519msgid "" 7520"Sorry\n" 7521"I can not read the number of primitives per shell" 7522msgstr "" 7523 7524#: ../src/OpenGL/Basis.c:1192 7525msgid "" 7526"Sorry\n" 7527"I can not read the atoms number for shell" 7528msgstr "" 7529 7530#: ../src/OpenGL/Basis.c:1200 7531msgid "" 7532"Sorry\n" 7533"I can not read the primitive exponents " 7534msgstr "" 7535 7536#: ../src/OpenGL/Basis.c:1208 7537msgid "" 7538"Sorry\n" 7539"I can not read the contraction coefficients " 7540msgstr "" 7541 7542#: ../src/OpenGL/Basis.c:1218 7543msgid "" 7544"Sorry\n" 7545"I can not read the P(S=P) contraction coefficients " 7546msgstr "" 7547 7548#: ../src/OpenGL/Basis.c:1227 7549msgid "" 7550"Sorry\n" 7551"I can not read the coordinates of each shell " 7552msgstr "" 7553 7554#: ../src/OpenGL/CaptureOrbitals.c:304 ../src/OpenGL/CaptureOrbitals.c:350 7555#: ../src/OpenGL/Orbitals.c:229 ../src/OpenGL/Orbitals.c:299 7556#: ../src/OpenGL/Orbitals.c:345 ../src/OpenGL/Orbitals.c:897 7557#: ../src/OpenGL/UtilsOrb.c:1182 ../src/OpenGL/UtilsOrb.c:1228 7558#: ../src/OpenGL/UtilsOrb.c:1770 ../src/OpenGL/UtilsOrb.c:1838 7559msgid "Error : one entry is not a float " 7560msgstr "" 7561 7562#: ../src/OpenGL/CaptureOrbitals.c:314 ../src/OpenGL/IntegralOrbitals.c:576 7563#: ../src/OpenGL/IntegralOrbitals.c:1504 ../src/OpenGL/IntegralOrbitals.c:1968 7564#: ../src/OpenGL/Orbitals.c:309 ../src/OpenGL/UtilsOrb.c:1192 7565#: ../src/OpenGL/UtilsOrb.c:1780 7566msgid "Error : The number of points should be > 2. " 7567msgstr "" 7568 7569#: ../src/OpenGL/CaptureOrbitals.c:325 ../src/OpenGL/Contours.c:275 7570#: ../src/OpenGL/Contours.c:682 ../src/OpenGL/IntegralOrbitals.c:587 7571#: ../src/OpenGL/IntegralOrbitals.c:1515 ../src/OpenGL/IntegralOrbitals.c:1979 7572#: ../src/OpenGL/Orbitals.c:320 ../src/OpenGL/UtilsOrb.c:1203 7573#: ../src/OpenGL/UtilsOrb.c:1813 ../src/Utils/GabeditContoursPlot.c:1562 7574#: ../src/Utils/GabeditContoursPlot.c:5143 7575msgid "Error : The minimal value should be smaller than the maximal value " 7576msgstr "" 7577 7578#: ../src/OpenGL/CaptureOrbitals.c:365 ../src/OpenGL/IntegralOrbitals.c:627 7579#: ../src/OpenGL/IntegralOrbitals.c:1555 ../src/OpenGL/IntegralOrbitals.c:2019 7580#: ../src/OpenGL/Orbitals.c:360 ../src/OpenGL/UtilsOrb.c:1243 7581#: ../src/OpenGL/UtilsOrb.c:1853 7582msgid "Error : the norm is equal to 0 " 7583msgstr "" 7584 7585#: ../src/OpenGL/CaptureOrbitals.c:535 7586msgid "Alpha orbitals" 7587msgstr "" 7588 7589#: ../src/OpenGL/CaptureOrbitals.c:541 ../src/OpenGL/CaptureOrbitals.c:986 7590#: ../src/OpenGL/IntegralOrbitals.c:1083 7591msgid "Beta Orbitals" 7592msgstr "" 7593 7594#: ../src/OpenGL/CaptureOrbitals.c:590 ../src/OpenGL/Vibration.c:514 7595#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:2134 7596msgid "Select your folder" 7597msgstr "" 7598 7599#: ../src/OpenGL/CaptureOrbitals.c:624 7600msgid "Isovalue" 7601msgstr "" 7602 7603#: ../src/OpenGL/CaptureOrbitals.c:679 7604msgid "Number" 7605msgstr "" 7606 7607#: ../src/OpenGL/CaptureOrbitals.c:687 ../src/Utils/ConvUtils.c:867 7608msgid "Energy" 7609msgstr "" 7610 7611#: ../src/OpenGL/CaptureOrbitals.c:695 ../src/Utils/AtomsProp.c:1221 7612msgid "Symbol" 7613msgstr "" 7614 7615#: ../src/OpenGL/CaptureOrbitals.c:703 7616msgid "Homo/Lumo number" 7617msgstr "" 7618 7619#: ../src/OpenGL/CaptureOrbitals.c:711 7620msgid "prefix" 7621msgstr "" 7622 7623#: ../src/OpenGL/CaptureOrbitals.c:772 7624msgid "Nubmer of slides by row" 7625msgstr "" 7626 7627#: ../src/OpenGL/CaptureOrbitals.c:798 7628msgid "Slide size/Screen size" 7629msgstr "" 7630 7631#: ../src/OpenGL/CaptureOrbitals.c:932 ../src/OpenGL/IntegralOrbitals.c:1029 7632msgid "Alpha Orbitals" 7633msgstr "" 7634 7635#: ../src/OpenGL/CaptureOrbitals.c:1047 ../src/OpenGL/GridAdfOrbitals.c:389 7636#: ../src/OpenGL/GridMolcas.c:493 ../src/OpenGL/GridPlans.c:304 7637#: ../src/OpenGL/GridPlans.c:537 ../src/OpenGL/IntegralOrbitals.c:1136 7638#: ../src/OpenGL/IntegralOrbitals.c:1735 ../src/OpenGL/IntegralOrbitals.c:2200 7639#: ../src/OpenGL/Orbitals.c:1117 ../src/OpenGL/UtilsOrb.c:1077 7640#: ../src/OpenGL/UtilsOrb.c:1291 ../src/OpenGL/UtilsOrb.c:2128 7641msgid "Sorry, Please load a file before\n" 7642msgstr "" 7643 7644#: ../src/OpenGL/CaptureOrbitals.c:1052 ../src/OpenGL/GridPlans.c:309 7645#: ../src/OpenGL/GridPlans.c:542 ../src/OpenGL/IntegralOrbitals.c:1141 7646#: ../src/OpenGL/IntegralOrbitals.c:1146 ../src/OpenGL/IntegralOrbitals.c:1290 7647#: ../src/OpenGL/IntegralOrbitals.c:1740 ../src/OpenGL/IntegralOrbitals.c:1745 7648#: ../src/OpenGL/IntegralOrbitals.c:2205 ../src/OpenGL/IntegralOrbitals.c:2210 7649#: ../src/OpenGL/UtilsOrb.c:1082 ../src/OpenGL/UtilsOrb.c:1296 7650msgid "Sorry, Please load the MO before\n" 7651msgstr "" 7652 7653#: ../src/OpenGL/CaptureOrbitals.c:1058 ../src/OpenGL/GridPlans.c:315 7654#: ../src/OpenGL/IntegralOrbitals.c:1152 ../src/OpenGL/IntegralOrbitals.c:1751 7655#: ../src/OpenGL/IntegralOrbitals.c:2216 ../src/OpenGL/UtilsOrb.c:1094 7656#: ../src/OpenGL/UtilsOrb.c:1308 7657msgid "" 7658"Sorry, No atomic orbitals available.\n" 7659"Please use a gabedit file for load : \n" 7660"Geometry, Molecular and Atomic Orbitals\n" 7661msgstr "" 7662 7663#: ../src/OpenGL/CaptureOrbitals.c:1064 7664msgid "Slideshow orbital" 7665msgstr "" 7666 7667#: ../src/OpenGL/CaptureOrbitals.c:1074 ../src/OpenGL/UtilsOrb.c:1110 7668#: ../src/OpenGL/UtilsOrb.c:1324 7669msgid "Box & Grid" 7670msgstr "" 7671 7672#: ../src/OpenGL/CaptureOrbitals.c:1087 7673#: ../src/Utils/GabeditContoursPlot.c:2780 ../src/Utils/GabeditXYPlot.c:2313 7674msgid "Labels" 7675msgstr "" 7676 7677#: ../src/OpenGL/CaptureOrbitals.c:1099 7678msgid "Slides" 7679msgstr "" 7680 7681#: ../src/OpenGL/Contours.c:271 ../src/OpenGL/Contours.c:677 7682#: ../src/Utils/GabeditContoursPlot.c:1558 7683#: ../src/Utils/GabeditContoursPlot.c:5139 7684msgid "Error : The minimal value should be float." 7685msgstr "" 7686 7687#: ../src/OpenGL/Contours.c:272 ../src/OpenGL/Contours.c:678 7688#: ../src/Utils/GabeditContoursPlot.c:1559 7689#: ../src/Utils/GabeditContoursPlot.c:5140 7690msgid "Error : The maximal value should be float." 7691msgstr "" 7692 7693#: ../src/OpenGL/Contours.c:279 ../src/OpenGL/Contours.c:679 7694#: ../src/OpenGL/PlanesMapped.c:48 ../src/OpenGL/PlanesMapped.c:199 7695msgid "Error : The projection value should be float." 7696msgstr "" 7697 7698#: ../src/OpenGL/Contours.c:438 ../src/OpenGL/PlanesMapped.c:77 7699msgid " Plane number " 7700msgstr "" 7701 7702#: ../src/OpenGL/Contours.c:463 ../src/Utils/GabeditContoursPlot.c:1634 7703msgid " Numbre of contours " 7704msgstr "" 7705 7706#: ../src/OpenGL/Contours.c:464 ../src/Utils/GabeditContoursPlot.c:1644 7707#: ../src/Utils/GabeditContoursPlot.c:5333 7708msgid " Min iso-value " 7709msgstr "" 7710 7711#: ../src/OpenGL/Contours.c:465 ../src/Utils/GabeditContoursPlot.c:1655 7712#: ../src/Utils/GabeditContoursPlot.c:5344 7713msgid " Max iso-value " 7714msgstr "" 7715 7716#: ../src/OpenGL/Contours.c:469 7717msgid " Projection " 7718msgstr "" 7719 7720#: ../src/OpenGL/Contours.c:496 ../src/OpenGL/PlanesMapped.c:234 7721msgid " left if <0, right if >0. and nothing if 0" 7722msgstr "" 7723 7724#: ../src/OpenGL/Contours.c:620 ../src/OpenGL/Orbitals.c:1025 7725#: ../src/OpenGL/PlanesMapped.c:149 7726msgid "Grid not defined " 7727msgstr "" 7728 7729#: ../src/OpenGL/Contours.c:863 ../src/OpenGL/PlanesMapped.c:256 7730msgid "Grid in plane is not defined " 7731msgstr "" 7732 7733#: ../src/OpenGL/Dipole.c:49 7734msgid "Nuclear Dipole(Debye)" 7735msgstr "" 7736 7737#: ../src/OpenGL/Dipole.c:50 7738msgid "Electronic Dipole(Debye)" 7739msgstr "" 7740 7741#: ../src/OpenGL/Dipole.c:51 7742msgid "Total Dipole(Debye)" 7743msgstr "" 7744 7745#: ../src/OpenGL/Dipole.c:52 7746msgid "Ne = Number of electrons from grid density" 7747msgstr "" 7748 7749#: ../src/OpenGL/Dipole.c:53 7750msgid "Nn = Nuclear charge" 7751msgstr "" 7752 7753#: ../src/OpenGL/Dipole.c:90 7754msgid "Dipole computed from grid density" 7755msgstr "" 7756 7757#: ../src/OpenGL/Dipole.c:120 7758msgid "Dipole Computed using electronic density at the grid" 7759msgstr "" 7760 7761#: ../src/OpenGL/Dipole.c:233 7762msgid "Sorry, Grid not defined " 7763msgstr "" 7764 7765#: ../src/OpenGL/GeomOrbXYZ.c:723 ../src/OpenGL/GeomOrbXYZ.c:902 7766#, c-format 7767msgid "" 7768"Sorry\n" 7769" I can not open %s file" 7770msgstr "" 7771 7772#: ../src/OpenGL/GeomOrbXYZ.c:910 7773#, c-format 7774msgid "" 7775"Sorry\n" 7776" I can not read grometry from %s file" 7777msgstr "" 7778 7779#: ../src/OpenGL/GeomOrbXYZ.c:1421 ../src/OpenGL/GeomOrbXYZ.c:1762 7780#: ../src/OpenGL/OrbitalsGamess.c:161 ../src/OpenGL/OrbitalsQChem.c:152 7781#: ../src/OpenGL/Vibration.c:2101 ../src/OpenGL/Vibration.c:2534 7782msgid "" 7783"Sorry\n" 7784"I can not read geometry from this file" 7785msgstr "" 7786 7787#: ../src/OpenGL/GeomOrbXYZ.c:2830 7788#, c-format 7789msgid "" 7790"Sorry\n" 7791"I can not read the atom symbols in %s file " 7792msgstr "" 7793 7794#: ../src/OpenGL/GeomOrbXYZ.c:3684 7795msgid "" 7796"Sorry, I cannot read this file here\n" 7797"You can read it from the 'Draw Geometry' window, save it in hin and read it " 7798"from this window 'Display window'\n" 7799msgstr "" 7800 7801#: ../src/OpenGL/GeomOrbXYZ.c:3694 7802msgid "" 7803"Sorry, I cannot find the type of your file\n" 7804" Try to read it using openbabel\n" 7805msgstr "" 7806 7807#: ../src/OpenGL/Grid.c:595 ../src/OpenGL/Grid.c:648 ../src/OpenGL/Grid.c:650 7808#: ../src/OpenGL/Grid.c:665 ../src/OpenGL/Grid.c:671 ../src/OpenGL/Grid.c:672 7809#: ../src/OpenGL/Grid.c:684 ../src/OpenGL/Grid.c:692 ../src/OpenGL/Grid.c:693 7810#: ../src/OpenGL/Grid.c:702 ../src/OpenGL/Grid.c:708 ../src/OpenGL/Grid.c:709 7811#: ../src/OpenGL/Grid.c:718 ../src/OpenGL/Grid.c:724 ../src/OpenGL/Grid.c:725 7812#: ../src/OpenGL/Grid.c:736 ../src/OpenGL/Grid.c:746 ../src/OpenGL/Grid.c:747 7813#: ../src/OpenGL/Grid.c:778 ../src/OpenGL/Grid.c:807 ../src/OpenGL/Grid.c:2389 7814#: ../src/OpenGL/Grid.c:2504 ../src/OpenGL/Grid.c:2537 7815#: ../src/OpenGL/Grid.c:2567 ../src/OpenGL/Grid.c:2648 7816#: ../src/OpenGL/Grid.c:2676 ../src/OpenGL/Grid.c:2740 7817#: ../src/OpenGL/Grid.c:2768 ../src/OpenGL/Grid.c:2813 7818#: ../src/OpenGL/Grid.c:2814 ../src/OpenGL/Grid.c:2902 7819#: ../src/OpenGL/Grid.c:2903 ../src/OpenGL/Grid.c:2914 7820#: ../src/OpenGL/GridAdfDensity.c:247 ../src/OpenGL/GridAdfDensity.c:251 7821#: ../src/OpenGL/GridAdfDensity.c:745 ../src/OpenGL/GridAdfOrbitals.c:255 7822#: ../src/OpenGL/GridAdfOrbitals.c:259 ../src/OpenGL/GridAdfOrbitals.c:909 7823#: ../src/OpenGL/GridCube.c:810 ../src/OpenGL/GridCube.c:831 7824#: ../src/OpenGL/GridMolcas.c:302 ../src/OpenGL/GridMolcas.c:306 7825#: ../src/OpenGL/GridMolcas.c:363 ../src/OpenGL/GridMolcas.c:367 7826#: ../src/OpenGL/GridMolcas.c:917 ../src/OpenGL/GridMolcas.c:918 7827#: ../src/OpenGL/GridMolcas.c:996 ../src/OpenGL/GridMolcas.c:997 7828#: ../src/OpenGL/GridQChem.c:427 ../src/OpenGL/GridQChem.c:431 7829#: ../src/OpenGL/GridQChem.c:505 ../src/OpenGL/GridQChem.c:509 7830#: ../src/OpenGL/StatusOrb.c:246 ../src/Utils/GabeditContoursPlot.c:3390 7831#: ../src/Utils/GabeditXYPlot.c:2923 7832msgid "Grid" 7833msgstr "" 7834 7835#: ../src/OpenGL/Grid.c:595 7836msgid "Computing" 7837msgstr "" 7838 7839#: ../src/OpenGL/Grid.c:664 7840msgid "Computing Grid for electronic density" 7841msgstr "" 7842 7843#: ../src/OpenGL/Grid.c:681 7844msgid "Computing FED Grid for a electrophilic reaction" 7845msgstr "" 7846 7847#: ../src/OpenGL/Grid.c:682 7848msgid "Computing FED Grid for a nucleophilic reaction" 7849msgstr "" 7850 7851#: ../src/OpenGL/Grid.c:683 7852msgid "Computing FED Grid for a radical reaction" 7853msgstr "" 7854 7855#: ../src/OpenGL/Grid.c:701 7856msgid "Computing Grid for ELF(Becke)" 7857msgstr "" 7858 7859#: ../src/OpenGL/Grid.c:717 7860msgid "Computing Grid for ELF(Savin)" 7861msgstr "" 7862 7863#: ../src/OpenGL/Grid.c:735 7864#, c-format 7865msgid "Computing Grid for orb # %d" 7866msgstr "" 7867 7868#: ../src/OpenGL/Grid.c:778 ../src/OpenGL/Grid.c:2537 7869msgid "Comp. phi_i^2 and phi_j^2" 7870msgstr "" 7871 7872#: ../src/OpenGL/Grid.c:807 ../src/OpenGL/Grid.c:2567 7873msgid "Computing of Coulomb int." 7874msgstr "" 7875 7876#: ../src/OpenGL/Grid.c:2267 ../src/OpenGL/Grid.c:2413 7877msgid "" 7878"Sorry\n" 7879" The current grid is not a grid for electronic density" 7880msgstr "" 7881 7882#: ../src/OpenGL/Grid.c:2440 7883msgid "Compute of the source grid for the Poisson equation" 7884msgstr "" 7885 7886#: ../src/OpenGL/Grid.c:2448 7887msgid "Set boundary values from multipole " 7888msgstr "" 7889 7890#: ../src/OpenGL/Grid.c:2450 7891msgid "Solve the Poisson equation" 7892msgstr "" 7893 7894#: ../src/OpenGL/Grid.c:2464 7895msgid "End the rsolution of the Poisson equation" 7896msgstr "" 7897 7898#: ../src/OpenGL/Grid.c:2648 ../src/OpenGL/Grid.c:2740 7899msgid "Comp. phi_i*phi_j" 7900msgstr "" 7901 7902#: ../src/OpenGL/Grid.c:2676 ../src/OpenGL/Grid.c:2768 7903msgid "Computing of <i|vec r|j>." 7904msgstr "" 7905 7906#: ../src/OpenGL/Grid.c:2813 ../src/OpenGL/Grid.c:2902 7907msgid "Comp. integ f^2(x,y,z) dv from grid" 7908msgstr "" 7909 7910#: ../src/OpenGL/Grid.c:2814 ../src/OpenGL/Grid.c:2903 7911msgid "Comp. integ f(,xy,z) dv from grid" 7912msgstr "" 7913 7914#: ../src/OpenGL/Grid.c:2913 7915#, c-format 7916msgid "" 7917"Computing integrale for isovalue = %f, (IsoMax-IsoMin) = %f, precision = %f" 7918msgstr "" 7919 7920#: ../src/OpenGL/GridAdfDensity.c:107 ../src/OpenGL/GridAdfOrbitals.c:108 7921msgid "I can not read adf file\n" 7922msgstr "" 7923 7924#: ../src/OpenGL/GridAdfDensity.c:154 ../src/OpenGL/GridAdfDensity.c:164 7925msgid "Sorry, I can not read density from this file" 7926msgstr "" 7927 7928#: ../src/OpenGL/GridAdfDensity.c:233 ../src/OpenGL/GridAdfOrbitals.c:234 7929#: ../src/OpenGL/GridMolcas.c:290 7930#, c-format 7931msgid "Sorry, i can not open \"%s\" file" 7932msgstr "" 7933 7934#: ../src/OpenGL/GridAdfDensity.c:688 ../src/OpenGL/GridAdfOrbitals.c:868 7935#: ../src/OpenGL/GridCube.c:1315 ../src/OpenGL/GridCube.c:1551 7936msgid "I can not open file\n" 7937msgstr "" 7938 7939#: ../src/OpenGL/GridAdfDensity.c:696 ../src/OpenGL/GridAdfOrbitals.c:876 7940msgid "ADF Formatted file(41)" 7941msgstr "" 7942 7943#: ../src/OpenGL/GridAdfOrbitals.c:165 7944msgid "Sorry, I can not read this orbital" 7945msgstr "" 7946 7947#: ../src/OpenGL/GridAdfOrbitals.c:395 ../src/OpenGL/Orbitals.c:1125 7948msgid "Orbitals" 7949msgstr "" 7950 7951#: ../src/OpenGL/GridCP.c:113 7952msgid "Computing of gradient on each point..., Please wait" 7953msgstr "" 7954 7955#: ../src/OpenGL/GridCP.c:246 7956#, c-format 7957msgid "The Cube of the 2 grids should be equals\n" 7958msgstr "" 7959 7960#: ../src/OpenGL/GridCP.c:806 7961msgid "Assignation of points to volumes... Please wait" 7962msgstr "" 7963 7964#: ../src/OpenGL/GridCP.c:996 7965msgid "Assignation of points with f = 0..., Please wait" 7966msgstr "" 7967 7968#: ../src/OpenGL/GridCP.c:1153 7969msgid "Partial charges of molecule <= AIM charges" 7970msgstr "" 7971 7972#: ../src/OpenGL/GridCP.c:1184 ../src/OpenGL/GridCP.c:1549 7973msgid "Geometry (Ang)\n" 7974msgstr "" 7975 7976#: ../src/OpenGL/GridCP.c:1208 ../src/OpenGL/GridCP.c:1573 7977#, c-format 7978msgid "" 7979"Grid point density (Ang^-1) on the first direction(>10 is recommended) = %" 7980"lf\n" 7981"density of the grid(Ang^-1) on the second direction(>10 is recommended) = %" 7982"lf\n" 7983"density of the grid(Ang^-1) on the third direction(>10 is recommended) = %" 7984"lf\n" 7985msgstr "" 7986 7987#: ../src/OpenGL/GridCP.c:1241 ../src/OpenGL/GridCP.c:1606 7988#, c-format 7989msgid "sum of values on the 6 faces of the cube(should be near to 0) = %lf \n" 7990msgstr "" 7991 7992#: ../src/OpenGL/GridCP.c:1250 ../src/OpenGL/GridCP.c:1615 7993msgid "Position(Ang)" 7994msgstr "" 7995 7996#: ../src/OpenGL/GridCP.c:1250 ../src/OpenGL/GridCP.c:1615 7997msgid "Nearest at." 7998msgstr "" 7999 8000#: ../src/OpenGL/GridCP.c:1250 8001msgid " AIM Charge " 8002msgstr "" 8003 8004#: ../src/OpenGL/GridCP.c:1250 8005msgid "Old charge (read from CCP output file)" 8006msgstr "" 8007 8008#: ../src/OpenGL/GridCP.c:1292 ../src/OpenGL/GridCP.c:1654 8009#, c-format 8010msgid "Attracteur number %d\n" 8011msgstr "" 8012 8013#: ../src/OpenGL/GridCP.c:1297 ../src/OpenGL/GridCP.c:1659 8014#, c-format 8015msgid "Position(Ang) = %lf %lf %lf\n" 8016msgstr "" 8017 8018#: ../src/OpenGL/GridCP.c:1308 ../src/OpenGL/GridCP.c:1670 8019#, c-format 8020msgid "Nearest atom = %s[%d]\n" 8021msgstr "" 8022 8023#: ../src/OpenGL/GridCP.c:1314 ../src/OpenGL/GridCP.c:1676 8024#, c-format 8025msgid "Number of electrons in the volume of this attractor = %lf\n" 8026msgstr "" 8027 8028#: ../src/OpenGL/GridCP.c:1317 ../src/OpenGL/GridCP.c:1679 8029#, c-format 8030msgid "Nuclear charge of the nearest atom = %lf\n" 8031msgstr "" 8032 8033#: ../src/OpenGL/GridCP.c:1320 8034#, c-format 8035msgid "Charge in the volume of this attractor = %lf\n" 8036msgstr "" 8037 8038#: ../src/OpenGL/GridCP.c:1324 ../src/OpenGL/GridCP.c:1682 8039#, c-format 8040msgid "# of points in this volume = %d\n" 8041msgstr "" 8042 8043#: ../src/OpenGL/GridCP.c:1329 ../src/OpenGL/GridCP.c:1687 8044#, c-format 8045msgid "Total number of electrons = %lf\n" 8046msgstr "" 8047 8048#: ../src/OpenGL/GridCP.c:1332 8049#, c-format 8050msgid "Total nuclear charges = %lf\n" 8051msgstr "" 8052 8053#: ../src/OpenGL/GridCP.c:1335 8054#, c-format 8055msgid "Total charge = %lf\n" 8056msgstr "" 8057 8058#: ../src/OpenGL/GridCP.c:1342 8059msgid "AIM charges" 8060msgstr "" 8061 8062#: ../src/OpenGL/GridCP.c:1346 ../src/OpenGL/GridCP.c:1699 8063msgid "Oups a problem...." 8064msgstr "" 8065 8066#: ../src/OpenGL/GridCP.c:1346 ../src/OpenGL/GridCP.c:1699 8067msgid "Attractors" 8068msgstr "" 8069 8070#: ../src/OpenGL/GridCP.c:1394 8071msgid "Computing of charges..., Please wait" 8072msgstr "" 8073 8074#: ../src/OpenGL/GridCP.c:1467 8075msgid "" 8076"Sorry\n" 8077" The current grid is not a grid for electronic density!!!" 8078msgstr "" 8079 8080#: ../src/OpenGL/GridCP.c:1505 8081msgid "Computing of the number of electrons at each attractor..., Please wait" 8082msgstr "" 8083 8084#: ../src/OpenGL/GridCP.c:1615 8085msgid " # electrons" 8086msgstr "" 8087 8088#: ../src/OpenGL/GridCP.c:1693 8089msgid "ELF analysis" 8090msgstr "" 8091 8092#: ../src/OpenGL/GridCP.c:1712 8093msgid "" 8094"Sorry\n" 8095" The current grid is not a grid for ELF!!!" 8096msgstr "" 8097 8098#: ../src/OpenGL/GridCP.c:1717 8099msgid "" 8100"Sorry\n" 8101" The second grid is not a grid for electronic density!!!" 8102msgstr "" 8103 8104#: ../src/OpenGL/GridCP.c:1726 8105msgid "" 8106"Sorry\n" 8107" The Cubes of the 2 grids should be equals!!!" 8108msgstr "" 8109 8110#: ../src/OpenGL/GridCube.c:256 8111msgid "Error : your value is not a float " 8112msgstr "" 8113 8114#: ../src/OpenGL/GridCube.c:283 8115msgid "Sorry, Grid is not defined " 8116msgstr "" 8117 8118#: ../src/OpenGL/GridCube.c:287 ../src/OpenGL/GridCube.c:293 8119msgid "Scale grid" 8120msgstr "" 8121 8122#: ../src/OpenGL/GridCube.c:305 8123msgid "Factor" 8124msgstr "" 8125 8126#: ../src/OpenGL/GridCube.c:357 ../src/OpenGL/GridCube.c:617 8127#, c-format 8128msgid "Sorry, I can not open %s file" 8129msgstr "" 8130 8131#: ../src/OpenGL/GridCube.c:364 ../src/OpenGL/GridCube.c:371 8132#: ../src/OpenGL/GridCube.c:378 ../src/OpenGL/GridCube.c:385 8133#: ../src/OpenGL/GridCube.c:402 ../src/OpenGL/GridCube.c:409 8134#: ../src/OpenGL/GridCube.c:430 ../src/OpenGL/GridCube.c:437 8135#: ../src/OpenGL/GridCube.c:457 ../src/OpenGL/GridCube.c:464 8136#: ../src/OpenGL/GridCube.c:488 ../src/OpenGL/GridCube.c:498 8137#: ../src/OpenGL/GridCube.c:624 ../src/OpenGL/GridCube.c:631 8138#: ../src/OpenGL/GridCube.c:638 ../src/OpenGL/GridCube.c:645 8139#: ../src/OpenGL/GridCube.c:662 ../src/OpenGL/GridCube.c:669 8140#: ../src/OpenGL/GridCube.c:690 ../src/OpenGL/GridCube.c:697 8141#: ../src/OpenGL/GridCube.c:717 ../src/OpenGL/GridCube.c:724 8142#: ../src/OpenGL/GridCube.c:748 ../src/OpenGL/GridCube.c:759 8143#, c-format 8144msgid "Sorry, I can not read cube from %s file" 8145msgstr "" 8146 8147#: ../src/OpenGL/GridCube.c:392 ../src/OpenGL/GridCube.c:652 8148msgid "The number of atoms in cube file is not equal to default value" 8149msgstr "" 8150 8151#: ../src/OpenGL/GridCube.c:396 ../src/OpenGL/GridCube.c:656 8152msgid "Sorry, probleme with origin of cube" 8153msgstr "" 8154 8155#: ../src/OpenGL/GridCube.c:419 ../src/OpenGL/GridCube.c:679 8156msgid "Sorry, problem with number of points at x direction" 8157msgstr "" 8158 8159#: ../src/OpenGL/GridCube.c:424 ../src/OpenGL/GridCube.c:684 8160msgid "Sorry, problem with X vecteor" 8161msgstr "" 8162 8163#: ../src/OpenGL/GridCube.c:447 ../src/OpenGL/GridCube.c:707 8164msgid "Sorry, problem with number of points at y direction" 8165msgstr "" 8166 8167#: ../src/OpenGL/GridCube.c:452 ../src/OpenGL/GridCube.c:712 8168msgid "Sorry, problem with Y vecteor" 8169msgstr "" 8170 8171#: ../src/OpenGL/GridCube.c:474 ../src/OpenGL/GridCube.c:734 8172msgid "Sorry, problem with number of points at z direction" 8173msgstr "" 8174 8175#: ../src/OpenGL/GridCube.c:479 ../src/OpenGL/GridCube.c:739 8176msgid "Sorry, problem with Z vecteor" 8177msgstr "" 8178 8179#: ../src/OpenGL/GridCube.c:794 ../src/OpenGL/GridCube.c:810 8180msgid "Writing..." 8181msgstr "" 8182 8183#: ../src/OpenGL/GridCube.c:897 ../src/OpenGL/GridCube.c:936 8184#: ../src/OpenGL/GridCube.c:949 ../src/OpenGL/GridCube.c:1147 8185#: ../src/OpenGL/GridCube.c:1153 ../src/OpenGL/GridCube.c:1159 8186#: ../src/OpenGL/GridCube.c:1165 ../src/OpenGL/GridCube.c:1171 8187#: ../src/OpenGL/GridCube.c:1177 ../src/OpenGL/GridCube.c:1197 8188#: ../src/OpenGL/GridCube.c:1227 ../src/OpenGL/GridCube.c:1327 8189#: ../src/OpenGL/GridCube.c:1336 ../src/OpenGL/GridCube.c:1345 8190#: ../src/OpenGL/GridCube.c:1354 ../src/OpenGL/GridCube.c:1584 8191#: ../src/OpenGL/GridCube.c:1593 ../src/OpenGL/GridCube.c:1602 8192#: ../src/OpenGL/GridCube.c:1611 8193msgid "I can not read cube from this file\n" 8194msgstr "" 8195 8196#: ../src/OpenGL/GridCube.c:1256 8197msgid "Total number of orbitals" 8198msgstr "" 8199 8200#: ../src/OpenGL/GridCube.c:1257 8201msgid "Orbital number" 8202msgstr "" 8203 8204#: ../src/OpenGL/GridCube.c:1265 8205msgid "Selection of orbital number" 8206msgstr "" 8207 8208#: ../src/OpenGL/GridCube.c:1321 ../src/OpenGL/GridCube.c:1557 8209msgid "File Name" 8210msgstr "" 8211 8212#: ../src/OpenGL/GridCube.c:1438 8213msgid "" 8214"Error detected in gabedit\n" 8215" Please contat the author for this bug" 8216msgstr "" 8217 8218#: ../src/OpenGL/GridCube.c:1465 ../src/OpenGL/OrbitalsMolpro.c:1704 8219msgid "Orbitals available " 8220msgstr "" 8221 8222#: ../src/OpenGL/GridCube.c:1648 8223msgid "" 8224"Warning : This file is a orbitals cube file\n" 8225"I read The first orbital\n" 8226msgstr "" 8227 8228#: ../src/OpenGL/GridCube.c:1677 8229msgid "Sorry this is not a orbitals molpro cube file\n" 8230msgstr "" 8231 8232#: ../src/OpenGL/GridCube.c:1684 8233msgid "One orbital detected in this file\n" 8234msgstr "" 8235 8236#: ../src/OpenGL/GridCube.c:1704 8237msgid "Error : This file is not a orbitals cube file\n" 8238msgstr "" 8239 8240#: ../src/OpenGL/GridCube.c:1961 ../src/OpenGL/GridCube.c:1980 8241#: ../src/OpenGL/GridCube.c:2000 ../src/OpenGL/MenuToolBarGL.c:305 8242#: ../src/OpenGL/MenuToolBarGL.c:310 ../src/OpenGL/MenuToolBarGL.c:315 8243#: ../src/OpenGL/MenuToolBarGL.c:320 ../src/OpenGL/MenuToolBarGL.c:325 8244#: ../src/OpenGL/MenuToolBarGL.c:330 ../src/OpenGL/MenuToolBarGL.c:335 8245#: ../src/OpenGL/MenuToolBarGL.c:340 8246msgid "Sorry, you have not a default grid" 8247msgstr "" 8248 8249#: ../src/OpenGL/GridCube.c:2048 ../src/OpenGL/UtilsOrb.c:1088 8250#: ../src/OpenGL/UtilsOrb.c:1302 8251msgid "Sorry, All partial charges are null\n" 8252msgstr "" 8253 8254#: ../src/OpenGL/GridMolcas.c:181 ../src/OpenGL/GridMolcas.c:187 8255#: ../src/OpenGL/GridQChem.c:94 ../src/OpenGL/GridQChem.c:108 8256#: ../src/OpenGL/GridQChem.c:114 8257msgid "Sorry, I can not read grid from this file" 8258msgstr "" 8259 8260#: ../src/OpenGL/GridMolcas.c:342 8261#, c-format 8262msgid "Sorry, I can not open \"%s\" file" 8263msgstr "" 8264 8265#: ../src/OpenGL/GridMolcas.c:874 ../src/OpenGL/GridMolcas.c:938 8266#, c-format 8267msgid "I can not open %s file" 8268msgstr "" 8269 8270#: ../src/OpenGL/GridMolcas.c:883 ../src/OpenGL/GridMolcas.c:947 8271msgid "Molcas grid formatted file" 8272msgstr "" 8273 8274#: ../src/OpenGL/GridMolcas.c:898 ../src/OpenGL/GridMolcas.c:965 8275msgid "Sorry, I can not grid information from thi file\n" 8276msgstr "" 8277 8278#: ../src/OpenGL/GridMolcas.c:904 ../src/OpenGL/GridMolcas.c:971 8279msgid "Sorry, No grid available in this file\n" 8280msgstr "" 8281 8282#: ../src/OpenGL/GridMolcas.c:982 8283msgid "Sorry, No density available in this file\n" 8284msgstr "" 8285 8286#: ../src/OpenGL/GridPlans.c:368 8287msgid "Error : The length of plane should be a float." 8288msgstr "" 8289 8290#: ../src/OpenGL/GridPlans.c:371 ../src/OpenGL/GridPlans.c:377 8291msgid "Error : The length of plane should be positive. " 8292msgstr "" 8293 8294#: ../src/OpenGL/GridPlans.c:374 8295msgid " Error : The length of plane should be a float." 8296msgstr "" 8297 8298#: ../src/OpenGL/GridPlans.c:382 ../src/OpenGL/GridPlans.c:386 8299msgid "Error : A non float value in a float area." 8300msgstr "" 8301 8302#: ../src/OpenGL/GridPlans.c:390 8303msgid "Error : The length of normal Vector should be > 1e-6. " 8304msgstr "" 8305 8306#: ../src/OpenGL/GridPlans.c:399 8307msgid "Definition of Maps" 8308msgstr "" 8309 8310#: ../src/OpenGL/GridPlans.c:405 8311msgid "Definition of contours" 8312msgstr "" 8313 8314#: ../src/OpenGL/GridPlans.c:429 8315msgid "Center of plan" 8316msgstr "" 8317 8318#: ../src/OpenGL/GridPlans.c:430 8319msgid "Vector perpendicular to plan" 8320msgstr "" 8321 8322#: ../src/OpenGL/GridPlans.c:449 8323msgid "First direction" 8324msgstr "" 8325 8326#: ../src/OpenGL/GridPlans.c:452 8327msgid " Length " 8328msgstr "" 8329 8330#: ../src/OpenGL/GridPlans.c:457 8331msgid " N points " 8332msgstr "" 8333 8334#: ../src/OpenGL/GridPlans.c:532 ../src/Utils/GabeditContoursPlot.c:1723 8335msgid "Contours" 8336msgstr "" 8337 8338#: ../src/OpenGL/GridPlans.c:532 8339msgid "Maps" 8340msgstr "" 8341 8342#: ../src/OpenGL/GridPlans.c:550 8343msgid "Definition of plane by a Point and a Vector" 8344msgstr "" 8345 8346#: ../src/OpenGL/GridPlans.c:556 8347msgid "Plane of contours " 8348msgstr "" 8349 8350#: ../src/OpenGL/GridPlans.c:561 8351msgid "Defintion of plan" 8352msgstr "" 8353 8354#: ../src/OpenGL/GridQChem.c:74 8355#, c-format 8356msgid "I can not open %s file\n" 8357msgstr "" 8358 8359#: ../src/OpenGL/GridQChem.c:173 8360#, c-format 8361msgid "" 8362"I can not open %s file\n" 8363", I read list of grids from this file" 8364msgstr "" 8365 8366#: ../src/OpenGL/GridQChem.c:309 8367#, c-format 8368msgid "" 8369"I can not open %s file\n" 8370", I read geometry and grid limits from this file" 8371msgstr "" 8372 8373#: ../src/OpenGL/GridQChem.c:318 8374msgid "QChem output file" 8375msgstr "" 8376 8377#: ../src/OpenGL/GridQChem.c:324 8378#, c-format 8379msgid "I can not read geometry from %s file" 8380msgstr "" 8381 8382#: ../src/OpenGL/GridQChem.c:333 8383#, c-format 8384msgid "I can not read grid limits from %s file" 8385msgstr "" 8386 8387#: ../src/OpenGL/GridQChem.c:361 8388msgid "Selection your grid" 8389msgstr "" 8390 8391#: ../src/OpenGL/GridQChem.c:370 8392msgid " Grid Name " 8393msgstr "" 8394 8395#: ../src/OpenGL/GridQChem.c:450 8396msgid "Grids available" 8397msgstr "" 8398 8399#: ../src/OpenGL/Images.c:154 ../src/OpenGL/Images.c:258 8400#, c-format 8401msgid "Sorry: can't open %s file\n" 8402msgstr "" 8403 8404#: ../src/OpenGL/IntegralOrbitals.c:95 8405#, c-format 8406msgid "Computing of <%d %d|delta(ri,rj)| %d %d>.... Please wait" 8407msgstr "" 8408 8409#: ../src/OpenGL/IntegralOrbitals.c:369 8410msgid "Creation of T1 and T2 tables... Please wait" 8411msgstr "" 8412 8413#: ../src/OpenGL/IntegralOrbitals.c:374 8414#, c-format 8415msgid "Computing of <%d %d|1/r12| %d %d>.... Please wait" 8416msgstr "" 8417 8418#: ../src/OpenGL/IntegralOrbitals.c:395 8419msgid "Computing of 2 centers Coulomb integrals... Please wait" 8420msgstr "" 8421 8422#: ../src/OpenGL/IntegralOrbitals.c:442 8423#, c-format 8424msgid "# of all ERI = %ld, # of computed ERI = %ld" 8425msgstr "" 8426 8427#: ../src/OpenGL/IntegralOrbitals.c:566 ../src/OpenGL/IntegralOrbitals.c:612 8428#: ../src/OpenGL/IntegralOrbitals.c:1494 ../src/OpenGL/IntegralOrbitals.c:1540 8429#: ../src/OpenGL/IntegralOrbitals.c:1958 ../src/OpenGL/IntegralOrbitals.c:2004 8430msgid "Error : an entry is not a float " 8431msgstr "" 8432 8433#: ../src/OpenGL/IntegralOrbitals.c:653 ../src/OpenGL/IntegralOrbitals.c:1581 8434#: ../src/OpenGL/IntegralOrbitals.c:2045 8435msgid "Error : You should select at last one orbital" 8436msgstr "" 8437 8438#: ../src/OpenGL/IntegralOrbitals.c:692 ../src/OpenGL/IntegralOrbitals.c:737 8439#: ../src/OpenGL/IntegralOrbitals.c:798 ../src/OpenGL/IntegralOrbitals.c:859 8440#: ../src/OpenGL/IntegralOrbitals.c:1412 8441msgid "Analytic computing of coulomb integral" 8442msgstr "" 8443 8444#: ../src/OpenGL/IntegralOrbitals.c:1194 8445msgid "Numerical computing of the Coulomb integral (Large box is recommended)" 8446msgstr "" 8447 8448#: ../src/OpenGL/IntegralOrbitals.c:1202 ../src/OpenGL/IntegralOrbitals.c:2266 8449msgid " Schwarz cutoff : " 8450msgstr "" 8451 8452#: ../src/OpenGL/IntegralOrbitals.c:1284 8453msgid "Error : You should read orbitals" 8454msgstr "" 8455 8456#: ../src/OpenGL/IntegralOrbitals.c:1296 8457msgid "Sorry, That does not work with Slater basis set\n" 8458msgstr "" 8459 8460#: ../src/OpenGL/IntegralOrbitals.c:1301 8461#, c-format 8462msgid "Computing of overlap matrix between orbitals... Please wait" 8463msgstr "" 8464 8465#: ../src/OpenGL/IntegralOrbitals.c:1358 8466msgid "Preparation of text to show... Please wait" 8467msgstr "" 8468 8469#: ../src/OpenGL/IntegralOrbitals.c:1371 8470msgid "Overlap matrix" 8471msgstr "" 8472 8473#: ../src/OpenGL/IntegralOrbitals.c:1793 ../src/OpenGL/IntegralOrbitals.c:2258 8474msgid "Numerical computing (Large box is recommended)" 8475msgstr "" 8476 8477#: ../src/OpenGL/IntegralOrbitals.c:1868 8478msgid "Analytic computing of spatial overlap <ii|delta(ri,rj)|jj> integral" 8479msgstr "" 8480 8481#: ../src/OpenGL/LabelsGL.c:713 ../src/OpenGL/LabelsGL.c:721 8482msgid "Set title" 8483msgstr "" 8484 8485#: ../src/OpenGL/LabelsGL.c:718 8486msgid "Title " 8487msgstr "" 8488 8489#: ../src/OpenGL/LabelsGL.c:731 8490msgid "X position(%)" 8491msgstr "" 8492 8493#: ../src/OpenGL/LabelsGL.c:733 8494msgid "Y position(%)" 8495msgstr "" 8496 8497#: ../src/OpenGL/LabelsGL.c:735 8498msgid "Font" 8499msgstr "" 8500 8501#: ../src/OpenGL/LabelsGL.c:736 8502msgid "Color" 8503msgstr "" 8504 8505#: ../src/OpenGL/MenuToolBarGL.c:143 8506msgid "Read geometry" 8507msgstr "" 8508 8509#: ../src/OpenGL/MenuToolBarGL.c:145 8510msgid "Read a xyz file" 8511msgstr "" 8512 8513#: ../src/OpenGL/MenuToolBarGL.c:147 8514msgid "Read a pdb file" 8515msgstr "" 8516 8517#: ../src/OpenGL/MenuToolBarGL.c:149 8518msgid "Read a hyperchem file" 8519msgstr "" 8520 8521#: ../src/OpenGL/MenuToolBarGL.c:153 8522msgid "Read the first geometry in a Dalton output file" 8523msgstr "" 8524 8525#: ../src/OpenGL/MenuToolBarGL.c:155 8526msgid "Read the last geometry in a Dalton output file" 8527msgstr "" 8528 8529#: ../src/OpenGL/MenuToolBarGL.c:157 8530msgid "Read the first geometry in a Gamess output file" 8531msgstr "" 8532 8533#: ../src/OpenGL/MenuToolBarGL.c:159 8534msgid "Read the last geometry in a Gamess output file" 8535msgstr "" 8536 8537#: ../src/OpenGL/MenuToolBarGL.c:161 8538msgid "Read the first geometry in a Gaussian output file" 8539msgstr "" 8540 8541#: ../src/OpenGL/MenuToolBarGL.c:163 8542msgid "Read the last geometry in a Gaussian output file" 8543msgstr "" 8544 8545#: ../src/OpenGL/MenuToolBarGL.c:165 8546msgid "Read the geometry in a Gaussian fchk file" 8547msgstr "" 8548 8549#: ../src/OpenGL/MenuToolBarGL.c:167 8550msgid "Read the first geometry in a Molcas output file" 8551msgstr "" 8552 8553#: ../src/OpenGL/MenuToolBarGL.c:169 8554msgid "Read the last geometry in a Molcas output file" 8555msgstr "" 8556 8557#: ../src/OpenGL/MenuToolBarGL.c:171 8558msgid "Read the first geometry in a Molpro output file" 8559msgstr "" 8560 8561#: ../src/OpenGL/MenuToolBarGL.c:173 8562msgid "Read the last geometry in a Molpro output file" 8563msgstr "" 8564 8565#: ../src/OpenGL/MenuToolBarGL.c:179 8566msgid "Read the first geometry from a Mopac aux file" 8567msgstr "" 8568 8569#: ../src/OpenGL/MenuToolBarGL.c:187 8570msgid "Read the first geometry in a Orca output file" 8571msgstr "" 8572 8573#: ../src/OpenGL/MenuToolBarGL.c:189 8574msgid "Read the last geometry in a Orca output file" 8575msgstr "" 8576 8577#: ../src/OpenGL/MenuToolBarGL.c:191 8578msgid "Read the first geometry in a FireFly output file" 8579msgstr "" 8580 8581#: ../src/OpenGL/MenuToolBarGL.c:193 8582msgid "Read the last geometry in a FireFly output file" 8583msgstr "" 8584 8585#: ../src/OpenGL/MenuToolBarGL.c:200 8586msgid "Read geometry from a gabedit file" 8587msgstr "" 8588 8589#: ../src/OpenGL/MenuToolBarGL.c:202 8590msgid "Read geometry from a molden file" 8591msgstr "" 8592 8593#: ../src/OpenGL/MenuToolBarGL.c:205 8594msgid "Read Geometry and Orbitals(Auto)" 8595msgstr "" 8596 8597#: ../src/OpenGL/MenuToolBarGL.c:211 8598msgid "Read Geometry and Orbitals from a Gamess output file" 8599msgstr "" 8600 8601#: ../src/OpenGL/MenuToolBarGL.c:213 ../src/OpenGL/MenuToolBarGL.c:215 8602msgid "Read Geometry and Orbitals from a Orca files" 8603msgstr "" 8604 8605#: ../src/OpenGL/MenuToolBarGL.c:217 8606msgid "Read Geometry and Orbitals from a FireFly output file" 8607msgstr "" 8608 8609#: ../src/OpenGL/MenuToolBarGL.c:219 8610msgid "Read Geometry and Orbitals from a Q-Chem output file" 8611msgstr "" 8612 8613#: ../src/OpenGL/MenuToolBarGL.c:221 8614msgid "Read Geometry and Orbitals from a Mopac output file" 8615msgstr "" 8616 8617#: ../src/OpenGL/MenuToolBarGL.c:223 8618msgid "Read Geometry and Orbitals from a Gaussian output file" 8619msgstr "" 8620 8621#: ../src/OpenGL/MenuToolBarGL.c:225 8622msgid "Read Geometry and Orbitals from a Gaussian fchk file" 8623msgstr "" 8624 8625#: ../src/OpenGL/MenuToolBarGL.c:227 8626msgid "Read Geometry and Orbitals from a Molpro output file" 8627msgstr "" 8628 8629#: ../src/OpenGL/MenuToolBarGL.c:229 8630msgid "Read Geometry and Orbitals from a Gabedit file" 8631msgstr "" 8632 8633#: ../src/OpenGL/MenuToolBarGL.c:231 8634msgid "Read Geometry and Orbitals from a Molden file" 8635msgstr "" 8636 8637#: ../src/OpenGL/MenuToolBarGL.c:234 8638msgid "Save Geometry and Orbitals in a Gabedit file" 8639msgstr "" 8640 8641#: ../src/OpenGL/MenuToolBarGL.c:235 8642msgid "" 8643"Sorry, I cannot save this type of orbitals \n" 8644"(probably these are molpro or mopac orbitals)" 8645msgstr "" 8646 8647#: ../src/OpenGL/MenuToolBarGL.c:268 8648msgid "Load Gaussian orbitals cube file" 8649msgstr "" 8650 8651#: ../src/OpenGL/MenuToolBarGL.c:270 8652msgid "Load Gaussian density cube file" 8653msgstr "" 8654 8655#: ../src/OpenGL/MenuToolBarGL.c:272 8656msgid "Load Gaussian gradient cube file" 8657msgstr "" 8658 8659#: ../src/OpenGL/MenuToolBarGL.c:274 8660msgid "Load Gaussian laplacian cube file" 8661msgstr "" 8662 8663#: ../src/OpenGL/MenuToolBarGL.c:276 8664msgid "Load Gaussian norm gradient cube file" 8665msgstr "" 8666 8667#: ../src/OpenGL/MenuToolBarGL.c:278 8668msgid "Load Gaussian potential cube file" 8669msgstr "" 8670 8671#: ../src/OpenGL/MenuToolBarGL.c:280 8672msgid "Load Molpro one orbital cube file" 8673msgstr "" 8674 8675#: ../src/OpenGL/MenuToolBarGL.c:282 8676msgid "Load Molpro several orbitals cube file" 8677msgstr "" 8678 8679#: ../src/OpenGL/MenuToolBarGL.c:284 8680msgid "Load Molpro density cube file" 8681msgstr "" 8682 8683#: ../src/OpenGL/MenuToolBarGL.c:286 8684msgid "Load Molpro gradient cube file" 8685msgstr "" 8686 8687#: ../src/OpenGL/MenuToolBarGL.c:288 8688msgid "Load density from Molpro laplacian cube file" 8689msgstr "" 8690 8691#: ../src/OpenGL/MenuToolBarGL.c:290 8692msgid "Load Molpro laplacian cube file" 8693msgstr "" 8694 8695#: ../src/OpenGL/MenuToolBarGL.c:292 8696msgid "Load orbitals from adf file" 8697msgstr "" 8698 8699#: ../src/OpenGL/MenuToolBarGL.c:294 8700msgid "Load density from adf file" 8701msgstr "" 8702 8703#: ../src/OpenGL/MenuToolBarGL.c:296 8704msgid "Load Orbitals from molcasgrid file" 8705msgstr "" 8706 8707#: ../src/OpenGL/MenuToolBarGL.c:298 8708msgid "Load density from molcasgrid file" 8709msgstr "" 8710 8711#: ../src/OpenGL/MenuToolBarGL.c:300 8712msgid "Load Gabedit cube file" 8713msgstr "" 8714 8715#: ../src/OpenGL/MenuToolBarGL.c:302 8716msgid "Load Q-Chem Grid file" 8717msgstr "" 8718 8719#: ../src/OpenGL/MenuToolBarGL.c:346 8720msgid "Calculation of molecular electronic density grid" 8721msgstr "" 8722 8723#: ../src/OpenGL/MenuToolBarGL.c:351 8724msgid "Calculation of (molecular - atomic) density grid" 8725msgstr "" 8726 8727#: ../src/OpenGL/MenuToolBarGL.c:356 8728msgid "Calculation of molecular electronic spin density grid" 8729msgstr "" 8730 8731#: ../src/OpenGL/MenuToolBarGL.c:361 8732msgid "Calculation of atomic electronic density grid" 8733msgstr "" 8734 8735#: ../src/OpenGL/MenuToolBarGL.c:366 8736msgid "Calculation of Becke ELF" 8737msgstr "" 8738 8739#: ../src/OpenGL/MenuToolBarGL.c:371 8740msgid "Calculation of Savin ELF" 8741msgstr "" 8742 8743#: ../src/OpenGL/MenuToolBarGL.c:381 8744msgid "Calculation of FED Electrophilic susceptibility" 8745msgstr "" 8746 8747#: ../src/OpenGL/MenuToolBarGL.c:386 8748msgid "Calculation of FED Nucleophilic susceptibility" 8749msgstr "" 8750 8751#: ../src/OpenGL/MenuToolBarGL.c:391 8752msgid "Calculation of FED Radical susceptibility" 8753msgstr "" 8754 8755#: ../src/OpenGL/MenuToolBarGL.c:400 ../src/OpenGL/MenuToolBarGL.c:405 8756msgid "Compute Solvent Accessible Surface" 8757msgstr "" 8758 8759#: ../src/OpenGL/MenuToolBarGL.c:411 8760msgid "Calculation of MEP using Molecular Orbitals" 8761msgstr "" 8762 8763#: ../src/OpenGL/MenuToolBarGL.c:417 8764msgid "" 8765"Calculation of MEP from Molecular Orbitals/Poisson by Congugate Gradient" 8766msgstr "" 8767 8768#: ../src/OpenGL/MenuToolBarGL.c:423 8769msgid "Calculation of MEP from Molecular Orbitals/Poisson by Multigrid" 8770msgstr "" 8771 8772#: ../src/OpenGL/MenuToolBarGL.c:429 8773msgid "Calculation of MEP from partial charges of atoms" 8774msgstr "" 8775 8776#: ../src/OpenGL/MenuToolBarGL.c:530 8777msgid "Contours in a plane perpendicular to first direction" 8778msgstr "" 8779 8780#: ../src/OpenGL/MenuToolBarGL.c:532 8781msgid "Contours in a plane perpendicular to second direction" 8782msgstr "" 8783 8784#: ../src/OpenGL/MenuToolBarGL.c:534 8785msgid "Contours in a plane perpendicular to third direction" 8786msgstr "" 8787 8788#: ../src/OpenGL/MenuToolBarGL.c:546 8789msgid "Plane perpendicular to first direction" 8790msgstr "" 8791 8792#: ../src/OpenGL/MenuToolBarGL.c:548 8793msgid "Plane perpendicular to second direction" 8794msgstr "" 8795 8796#: ../src/OpenGL/MenuToolBarGL.c:550 8797msgid "Plane perpendicular to third direction" 8798msgstr "" 8799 8800#: ../src/OpenGL/MenuToolBarGL.c:615 8801msgid "Set Light Positions" 8802msgstr "" 8803 8804#: ../src/OpenGL/MenuToolBarGL.c:616 8805msgid "Set Surface Colors" 8806msgstr "" 8807 8808#: ../src/OpenGL/MenuToolBarGL.c:664 8809msgid "Save image in jpg file format" 8810msgstr "" 8811 8812#: ../src/OpenGL/MenuToolBarGL.c:2230 8813#, c-format 8814msgid "Error : I cannot show the menu!\n" 8815msgstr "" 8816 8817#: ../src/OpenGL/Orbitals.c:212 ../src/OpenGL/Orbitals.c:1918 8818#: ../src/OpenGL/Orbitals.c:1925 ../src/OpenGL/Orbitals.c:1929 8819#: ../src/OpenGL/Orbitals.c:1935 ../src/OpenGL/Orbitals.c:1972 8820#: ../src/OpenGL/Orbitals.c:1981 ../src/OpenGL/Orbitals.c:2146 8821#: ../src/OpenGL/Orbitals.c:2153 ../src/OpenGL/Orbitals.c:2157 8822#: ../src/OpenGL/Orbitals.c:2163 ../src/OpenGL/Orbitals.c:2172 8823#: ../src/OpenGL/Orbitals.c:2181 ../src/OpenGL/Orbitals.c:2209 8824#: ../src/OpenGL/Orbitals.c:2215 ../src/OpenGL/Orbitals.c:2223 8825#: ../src/OpenGL/Orbitals.c:2271 ../src/OpenGL/Orbitals.c:2280 8826#: ../src/OpenGL/Orbitals.c:2308 ../src/OpenGL/Orbitals.c:2315 8827#: ../src/OpenGL/Orbitals.c:2324 ../src/OpenGL/Orbitals.c:2391 8828#: ../src/OpenGL/Orbitals.c:2401 ../src/OpenGL/OrbitalsDalton.c:565 8829#: ../src/OpenGL/OrbitalsGamess.c:1136 ../src/OpenGL/OrbitalsGamess.c:1162 8830#: ../src/OpenGL/OrbitalsGamess.c:1177 ../src/OpenGL/OrbitalsGamess.c:1181 8831#: ../src/OpenGL/OrbitalsGamess.c:1190 ../src/OpenGL/OrbitalsGamess.c:1286 8832#: ../src/OpenGL/OrbitalsGamess.c:1296 ../src/OpenGL/OrbitalsMolpro.c:868 8833#: ../src/OpenGL/OrbitalsMolpro.c:1591 ../src/OpenGL/OrbitalsMolpro.c:1608 8834#: ../src/OpenGL/OrbitalsMolpro.c:1768 ../src/OpenGL/OrbitalsMopac.c:1203 8835#: ../src/OpenGL/OrbitalsMopac.c:1213 ../src/OpenGL/OrbitalsMopac.c:1232 8836#: ../src/OpenGL/OrbitalsMopac.c:1240 ../src/OpenGL/OrbitalsMopac.c:1279 8837#: ../src/OpenGL/OrbitalsMopac.c:1303 ../src/OpenGL/OrbitalsOrca.c:74 8838#: ../src/OpenGL/OrbitalsOrca.c:700 ../src/OpenGL/OrbitalsOrca.c:707 8839#: ../src/OpenGL/OrbitalsOrca.c:716 ../src/OpenGL/OrbitalsOrca.c:747 8840#: ../src/OpenGL/OrbitalsOrca.c:761 ../src/OpenGL/OrbitalsQChem.c:1172 8841#: ../src/OpenGL/OrbitalsQChem.c:1189 ../src/OpenGL/OrbitalsQChem.c:1198 8842#: ../src/OpenGL/OrbitalsQChem.c:1212 ../src/OpenGL/OrbitalsQChem.c:1216 8843#: ../src/OpenGL/OrbitalsQChem.c:1225 ../src/OpenGL/OrbitalsQChem.c:1329 8844#: ../src/OpenGL/OrbitalsQChem.c:1339 ../src/OpenGL/StatusOrb.c:245 8845msgid "Mol. Orb." 8846msgstr "" 8847 8848#: ../src/OpenGL/Orbitals.c:236 8849#, c-format 8850msgid "Error : The isovalue value should between %lf and %lf" 8851msgstr "" 8852 8853#: ../src/OpenGL/Orbitals.c:434 8854msgid "Cutoff molecular orbitals coefficients" 8855msgstr "" 8856 8857#: ../src/OpenGL/Orbitals.c:935 8858msgid " Min " 8859msgstr "" 8860 8861#: ../src/OpenGL/Orbitals.c:936 8862msgid " Max " 8863msgstr "" 8864 8865#: ../src/OpenGL/Orbitals.c:937 8866msgid " Value " 8867msgstr "" 8868 8869#: ../src/OpenGL/Orbitals.c:1030 8870msgid "Calculations of isosurfaces for an orbital" 8871msgstr "" 8872 8873#: ../src/OpenGL/Orbitals.c:1041 8874msgid "Iso-Value" 8875msgstr "" 8876 8877#: ../src/OpenGL/Orbitals.c:1165 8878msgid "Cut MO Coef." 8879msgstr "" 8880 8881#: ../src/OpenGL/Orbitals.c:1170 8882msgid "DOS Alpha" 8883msgstr "" 8884 8885#: ../src/OpenGL/Orbitals.c:1175 8886msgid "DOS Beta" 8887msgstr "" 8888 8889#: ../src/OpenGL/Orbitals.c:1180 8890msgid "DOS All" 8891msgstr "" 8892 8893#: ../src/OpenGL/Orbitals.c:1233 ../src/OpenGL/Orbitals.c:1241 8894#: ../src/OpenGL/Orbitals.c:1244 ../src/OpenGL/Orbitals.c:1832 8895msgid "Unknown" 8896msgstr "" 8897 8898#: ../src/OpenGL/Orbitals.c:1294 8899#, c-format 8900msgid "Sorry, I can not create '%s' file\n" 8901msgstr "" 8902 8903#: ../src/OpenGL/Orbitals.c:1391 ../src/OpenGL/OrbitalsGamess.c:866 8904#: ../src/OpenGL/OrbitalsQChem.c:925 8905#, c-format 8906msgid "Sorry, I can not read orbitals from '%s' file\n" 8907msgstr "" 8908 8909#: ../src/OpenGL/Orbitals.c:1909 ../src/OpenGL/Orbitals.c:2137 8910#, c-format 8911msgid "Sorry, I can not read this format in '%s' file\n" 8912msgstr "" 8913 8914#: ../src/OpenGL/Orbitals.c:2020 ../src/OpenGL/Orbitals.c:2034 8915msgid "" 8916"Sorry\n" 8917"I can not read the alpha MO coefficients" 8918msgstr "" 8919 8920#: ../src/OpenGL/Orbitals.c:2201 8921msgid "Sorry, This file is not in Gabedit Format\n" 8922msgstr "" 8923 8924#: ../src/OpenGL/Orbitals.c:2300 8925msgid "Sorry, This file is not in Molden Format\n" 8926msgstr "" 8927 8928#: ../src/OpenGL/OrbitalsDalton.c:235 ../src/OpenGL/OrbitalsDalton.c:260 8929#: ../src/OpenGL/OrbitalsDalton.c:334 ../src/OpenGL/OrbitalsGamess.c:417 8930#: ../src/OpenGL/OrbitalsQChem.c:486 8931msgid "Sorry I can read basis from this file\n" 8932msgstr "" 8933 8934#: ../src/OpenGL/OrbitalsGamess.c:435 ../src/OpenGL/OrbitalsMolpro.c:603 8935#: ../src/OpenGL/OrbitalsMolpro.c:624 ../src/OpenGL/OrbitalsMolpro.c:894 8936msgid "Sorry I can read basis in this file\n" 8937msgstr "" 8938 8939#: ../src/OpenGL/OrbitalsGamess.c:1126 ../src/OpenGL/OrbitalsMopac.c:1193 8940#: ../src/OpenGL/OrbitalsQChem.c:1162 8941#, c-format 8942msgid "Sorry, I can not read this format from '%s' file\n" 8943msgstr "" 8944 8945#: ../src/OpenGL/OrbitalsGamess.c:1186 ../src/OpenGL/OrbitalsQChem.c:1221 8946#, c-format 8947msgid "Sorry, I can not read basis from '%s' file\n" 8948msgstr "" 8949 8950#: ../src/OpenGL/OrbitalsGamess.c:1197 ../src/OpenGL/OrbitalsQChem.c:1232 8951#, c-format 8952msgid "Sorry, I can not read '%s' file, problem with basis set \n" 8953msgstr "" 8954 8955#: ../src/OpenGL/OrbitalsMolpro.c:1181 8956#, c-format 8957msgid "Sorry I can not open \"%s\" file\n" 8958msgstr "" 8959 8960#: ../src/OpenGL/OrbitalsMolpro.c:1524 8961msgid "" 8962"Error detected in gabedit\n" 8963"i Please contat the author for this bug" 8964msgstr "" 8965 8966#: ../src/OpenGL/OrbitalsMolpro.c:1643 8967msgid "Selection of type of orbitals" 8968msgstr "" 8969 8970#: ../src/OpenGL/OrbitalsMolpro.c:1777 8971#, c-format 8972msgid "" 8973"Sorry,\n" 8974"I can not read atomic basis and/or molecular orbitals from\n" 8975" \"%s\"\n" 8976" file\n" 8977"\n" 8978"For display density and/or molecular orbitals read from molpro output file,\n" 8979"the following keywords are required:\n" 8980"Gprint, basis;\n" 8981"Gprint, orbital;\n" 8982"After a hf or multi calculation : Printorb, 1000;\n" 8983"After a ci calculation : NATORB, 2001.2 , PRINT=1000;\n" 8984"\n" 8985msgstr "" 8986 8987#: ../src/OpenGL/OrbitalsMopac.c:1304 ../src/OpenGL/OrbitalsOrca.c:582 8988#, c-format 8989msgid "Sorry, I can not read the orbitals from '%s' file\n" 8990msgstr "" 8991 8992#: ../src/OpenGL/OrbitalsOrca.c:60 8993#, c-format 8994msgid "Sorry, I can not read orbitals from the orca file\n" 8995msgstr "" 8996 8997#: ../src/OpenGL/OrbitalsOrca.c:84 8998#, c-format 8999msgid "Sorry, I cannot create the molden file using orca_2mkl" 9000msgstr "" 9001 9002#: ../src/OpenGL/OrbitalsOrca.c:360 9003#, c-format 9004msgid "" 9005"Sorry\n" 9006"I can not read basis from '%s' file\n" 9007msgstr "" 9008 9009#: ../src/OpenGL/OrbitalsOrca.c:437 9010#, c-format 9011msgid "Sorry, I can not read '%s' file, problem with basis set\n" 9012msgstr "" 9013 9014#: ../src/OpenGL/OrbitalsOrca.c:692 9015msgid "Sorry, This file is not in Orca output file\n" 9016msgstr "" 9017 9018#: ../src/OpenGL/OrbitalsQChem.c:469 9019msgid "" 9020"Sorry I can read basis from this file. Add \n" 9021"PRINT_GENERAL_BASIS true\n" 9022"PRINT_ORBITALS true\n" 9023" to your input file" 9024msgstr "" 9025 9026#: ../src/OpenGL/OrbitalsQChem.c:1182 9027#, c-format 9028msgid "" 9029"Sorry, Gabedit does not support mixed spherical and contaminant cartezian " 9030"basis functions\n" 9031"\n" 9032"Use 'purecart 11111' or 'purecart 22222' in $rem block" 9033msgstr "" 9034 9035#: ../src/OpenGL/PlanesMapped.c:108 ../src/OpenGL/PlanesMapped.c:230 9036msgid "Projection " 9037msgstr "" 9038 9039#: ../src/OpenGL/PlanesMapped.c:112 9040msgid " left if <0, right if >0. and nothing if 0 " 9041msgstr "" 9042 9043#: ../src/OpenGL/PreferencesOrb.c:103 9044msgid "Positive value" 9045msgstr "" 9046 9047#: ../src/OpenGL/PreferencesOrb.c:104 9048msgid "Negative value" 9049msgstr "" 9050 9051#: ../src/OpenGL/PreferencesOrb.c:407 9052msgid " Distance from the viewer to the near clipping plane " 9053msgstr "" 9054 9055#: ../src/OpenGL/PreferencesOrb.c:415 9056msgid " Distance from the viewer to the far clipping plane " 9057msgstr "" 9058 9059#: ../src/OpenGL/PreferencesOrb.c:423 9060msgid " Zoom factor " 9061msgstr "" 9062 9063#: ../src/OpenGL/PreferencesOrb.c:431 9064msgid "Get Optimal values" 9065msgstr "" 9066 9067#: ../src/OpenGL/PreferencesOrb.c:441 9068msgid "Perspective" 9069msgstr "" 9070 9071#: ../src/OpenGL/PreferencesOrb.c:450 9072msgid "No perspective" 9073msgstr "" 9074 9075#: ../src/OpenGL/PreferencesOrb.c:489 9076msgid "Camera" 9077msgstr "" 9078 9079#: ../src/OpenGL/PreferencesOrb.c:563 9080msgid "Ligth positions" 9081msgstr "" 9082 9083#: ../src/OpenGL/PreferencesOrb.c:663 9084msgid "OpenGL Options" 9085msgstr "" 9086 9087#: ../src/OpenGL/PreferencesOrb.c:676 9088msgid " Number Of Subdivisions for a Cylinder " 9089msgstr "" 9090 9091#: ../src/OpenGL/PreferencesOrb.c:686 9092msgid " Number Of Subdivisions for a Sphere " 9093msgstr "" 9094 9095#: ../src/OpenGL/PrincipalAxisGL.c:361 ../src/Utils/UtilsInterface.c:2769 9096msgid "Set Dipole Color" 9097msgstr "" 9098 9099#: ../src/OpenGL/PrincipalAxisGL.c:419 9100msgid "Set the principal axis parameters" 9101msgstr "" 9102 9103#: ../src/OpenGL/PrincipalAxisGL.c:473 9104msgid "Color for the first axis " 9105msgstr "" 9106 9107#: ../src/OpenGL/PrincipalAxisGL.c:501 9108msgid "Color for the second axis " 9109msgstr "" 9110 9111#: ../src/OpenGL/PrincipalAxisGL.c:529 9112msgid "Color for the third axis " 9113msgstr "" 9114 9115#: ../src/OpenGL/StatusOrb.c:155 9116#, c-format 9117msgid " Geometry Reading : %.0f%%" 9118msgstr "" 9119 9120#: ../src/OpenGL/StatusOrb.c:158 9121#, c-format 9122msgid " Recording of the geometry : %.0f%%" 9123msgstr "" 9124 9125#: ../src/OpenGL/StatusOrb.c:161 9126#, c-format 9127msgid " Computing of an integral : %.0f%%" 9128msgstr "" 9129 9130#: ../src/OpenGL/StatusOrb.c:165 9131#, c-format 9132msgid " Computing of the electronic density grid : %.0f%%" 9133msgstr "" 9134 9135#: ../src/OpenGL/StatusOrb.c:168 9136#, c-format 9137msgid " Grid computing for an orbital : %.0f%%" 9138msgstr "" 9139 9140#: ../src/OpenGL/StatusOrb.c:171 9141#, c-format 9142msgid " Grid computing for the ELF : %.0f%%" 9143msgstr "" 9144 9145#: ../src/OpenGL/StatusOrb.c:174 9146#, c-format 9147msgid " Grid computing for the Electro. susceptibility : %.0f%%" 9148msgstr "" 9149 9150#: ../src/OpenGL/StatusOrb.c:177 9151#, c-format 9152msgid " Grid computing for the Nucleo. susceptibility : %.0f%%" 9153msgstr "" 9154 9155#: ../src/OpenGL/StatusOrb.c:180 9156#, c-format 9157msgid " Grid computing for the Radical. susceptibility : %.0f%%" 9158msgstr "" 9159 9160#: ../src/OpenGL/StatusOrb.c:182 9161#, c-format 9162msgid " Grid Computing : %.0f%%" 9163msgstr "" 9164 9165#: ../src/OpenGL/StatusOrb.c:185 9166#, c-format 9167msgid " Scale grid : %.0f%%" 9168msgstr "" 9169 9170#: ../src/OpenGL/StatusOrb.c:188 9171#, c-format 9172msgid " Substract grid : %.0f%%" 9173msgstr "" 9174 9175#: ../src/OpenGL/StatusOrb.c:191 9176#, c-format 9177msgid " Isosurface Computing : %.0f%%" 9178msgstr "" 9179 9180#: ../src/OpenGL/StatusOrb.c:194 9181#, c-format 9182msgid " Save Grid : %.0f%%" 9183msgstr "" 9184 9185#: ../src/OpenGL/StatusOrb.c:197 9186#, c-format 9187msgid " Grid reading : %.0f%%" 9188msgstr "" 9189 9190#: ../src/OpenGL/StatusOrb.c:200 9191#, c-format 9192msgid " Grid mapping : %.0f%%" 9193msgstr "" 9194 9195#: ../src/OpenGL/StatusOrb.c:203 9196#, c-format 9197msgid " Computing of the laplacian of the grid : %.0f%%" 9198msgstr "" 9199 9200#: ../src/OpenGL/StatusOrb.c:206 9201#, c-format 9202msgid " Computing of the gradient of the grid : %.0f%%" 9203msgstr "" 9204 9205#: ../src/OpenGL/StatusOrb.c:209 9206msgid " Scan file for get the total orbitals number ....." 9207msgstr "" 9208 9209#: ../src/OpenGL/StatusOrb.c:212 9210#, c-format 9211msgid " Computing of the MEP : %.0f%%" 9212msgstr "" 9213 9214#: ../src/OpenGL/StatusOrb.c:215 9215#, c-format 9216msgid " Multipole Computing : %.0f%%" 9217msgstr "" 9218 9219#: ../src/OpenGL/StatusOrb.c:246 9220msgid "IsoSurface" 9221msgstr "" 9222 9223#: ../src/OpenGL/StatusOrb.c:317 9224msgid " File name : Nothing" 9225msgstr "" 9226 9227#: ../src/OpenGL/StatusOrb.c:317 9228msgid " File type : Nothing" 9229msgstr "" 9230 9231#: ../src/OpenGL/StatusOrb.c:317 9232msgid " Geometry : Nothing" 9233msgstr "" 9234 9235#: ../src/OpenGL/StatusOrb.c:317 9236msgid " Mol. Orb. : Nothing" 9237msgstr "" 9238 9239#: ../src/OpenGL/StatusOrb.c:318 9240msgid " Atomic orb. : Nothing" 9241msgstr "" 9242 9243#: ../src/OpenGL/StatusOrb.c:318 9244msgid " Grid : Nothing" 9245msgstr "" 9246 9247#: ../src/OpenGL/StatusOrb.c:318 9248msgid " Iso Surface : Nothing" 9249msgstr "" 9250 9251#: ../src/OpenGL/StatusOrb.c:318 9252msgid " Right mouse button for popup menu." 9253msgstr "" 9254 9255#: ../src/OpenGL/TriangleDraw.c:451 9256msgid "Set opacity" 9257msgstr "" 9258 9259#: ../src/OpenGL/TriangleDraw.c:468 9260msgid "Opacity coefficient : " 9261msgstr "" 9262 9263#: ../src/OpenGL/UtilsOrb.c:322 9264#, c-format 9265msgid "Sorry, I can not determine the type of '%s' file\n" 9266msgstr "" 9267 9268#: ../src/OpenGL/UtilsOrb.c:896 ../src/OpenGL/UtilsOrb.c:1922 9269msgid "Vx" 9270msgstr "" 9271 9272#: ../src/OpenGL/UtilsOrb.c:898 ../src/OpenGL/UtilsOrb.c:1924 9273msgid "Vy" 9274msgstr "" 9275 9276#: ../src/OpenGL/UtilsOrb.c:900 ../src/OpenGL/UtilsOrb.c:1926 9277msgid "Vz" 9278msgstr "" 9279 9280#: ../src/OpenGL/UtilsOrb.c:902 ../src/OpenGL/UtilsOrb.c:1928 9281msgid "Minimum" 9282msgstr "" 9283 9284#: ../src/OpenGL/UtilsOrb.c:904 ../src/OpenGL/UtilsOrb.c:1930 9285msgid "Maximum" 9286msgstr "" 9287 9288#: ../src/OpenGL/UtilsOrb.c:906 ../src/OpenGL/UtilsOrb.c:1932 9289msgid "Number of points" 9290msgstr "" 9291 9292#: ../src/OpenGL/UtilsOrb.c:911 ../src/OpenGL/UtilsOrb.c:1937 9293msgid "First direction " 9294msgstr "" 9295 9296#: ../src/OpenGL/UtilsOrb.c:956 ../src/OpenGL/UtilsOrb.c:1982 9297msgid "Second direction " 9298msgstr "" 9299 9300#: ../src/OpenGL/UtilsOrb.c:1002 ../src/OpenGL/UtilsOrb.c:2028 9301msgid "Third direction " 9302msgstr "" 9303 9304#: ../src/OpenGL/UtilsOrb.c:1314 9305msgid "ELF Attractors" 9306msgstr "" 9307 9308#: ../src/OpenGL/UtilsOrb.c:1383 9309msgid "Error : The number of points should be integer. " 9310msgstr "" 9311 9312#: ../src/OpenGL/UtilsOrb.c:1392 9313msgid "Error : The number of points should be positive. " 9314msgstr "" 9315 9316#: ../src/OpenGL/UtilsOrb.c:1802 9317msgid "Error : The solvent radius should be a float " 9318msgstr "" 9319 9320#: ../src/OpenGL/UtilsOrb.c:2143 9321msgid "Box & Grid & Solvent radius" 9322msgstr "" 9323 9324#: ../src/OpenGL/UtilsOrb.c:2251 9325msgid "Scale Ball&Stick" 9326msgstr "" 9327 9328#: ../src/OpenGL/UtilsOrb.c:2268 9329msgid "Scale Ball" 9330msgstr "" 9331 9332#: ../src/OpenGL/UtilsOrb.c:2270 9333msgid "Scale Stick" 9334msgstr "" 9335 9336#: ../src/OpenGL/UtilsOrb.c:2485 ../src/Utils/GabeditContoursPlot.c:5216 9337msgid "Color mapping type" 9338msgstr "" 9339 9340#: ../src/OpenGL/UtilsOrb.c:2498 ../src/Utils/GabeditContoursPlot.c:5229 9341msgid "Multi color" 9342msgstr "" 9343 9344#: ../src/OpenGL/UtilsOrb.c:2503 ../src/Utils/GabeditContoursPlot.c:5234 9345msgid "2 colors" 9346msgstr "" 9347 9348#: ../src/OpenGL/UtilsOrb.c:2528 ../src/Utils/GabeditContoursPlot.c:5259 9349msgid "Unicolor" 9350msgstr "" 9351 9352#: ../src/OpenGL/UtilsOrb.c:2554 ../src/Utils/GabeditContoursPlot.c:5301 9353#, c-format 9354msgid "Color Mapping options" 9355msgstr "" 9356 9357#: ../src/OpenGL/UtilsOrb.c:2625 9358msgid "Error : alpha should be a real between 0 and 100 " 9359msgstr "" 9360 9361#: ../src/OpenGL/UtilsOrb.c:2665 9362msgid "Set alpha for FED calculation" 9363msgstr "" 9364 9365#: ../src/OpenGL/Vibration.c:506 ../src/SemiEmpirical/SemiEmpiricalDlg.c:2124 9366msgid "Working Folder" 9367msgstr "" 9368 9369#: ../src/OpenGL/Vibration.c:544 9370msgid "Step" 9371msgstr "" 9372 9373#: ../src/OpenGL/Vibration.c:581 9374msgid " Energy keywords " 9375msgstr "" 9376 9377#: ../src/OpenGL/Vibration.c:595 9378msgid " Prop. keywords " 9379msgstr "" 9380 9381#: ../src/OpenGL/Vibration.c:1040 9382#, c-format 9383msgid "Sorry, I can not read '%s' file\n" 9384msgstr "" 9385 9386#: ../src/OpenGL/Vibration.c:1060 9387#, c-format 9388msgid "Sorry, I can not read geometry from '%s' file\n" 9389msgstr "" 9390 9391#: ../src/OpenGL/Vibration.c:1127 ../src/OpenGL/Vibration.c:2938 9392#: ../src/OpenGL/Vibration.c:3594 ../src/OpenGL/Vibration.c:3779 9393#: ../src/Spectrum/IRSpectrum.c:125 ../src/Spectrum/IRSpectrum.c:132 9394#: ../src/Spectrum/RamanSpectrum.c:125 ../src/Spectrum/RamanSpectrum.c:132 9395#, c-format 9396msgid "Sorry, I can not read frequencies from '%s' file\n" 9397msgstr "" 9398 9399#: ../src/OpenGL/Vibration.c:1233 ../src/OpenGL/Vibration.c:1247 9400#: ../src/OpenGL/Vibration.c:3257 9401#, c-format 9402msgid "Sorry, I can not read Modes from '%s' file\n" 9403msgstr "" 9404 9405#: ../src/OpenGL/Vibration.c:1373 ../src/OpenGL/Vibration.c:1541 9406#: ../src/OpenGL/Vibration.c:1989 ../src/OpenGL/Vibration.c:3200 9407#: ../src/OpenGL/Vibration.c:3218 ../src/OpenGL/Vibration.c:3368 9408#: ../src/OpenGL/Vibration.c:3412 9409#, c-format 9410msgid "Sorry, I can not read the frequencies from '%s' file\n" 9411msgstr "" 9412 9413#: ../src/OpenGL/Vibration.c:1501 9414#, c-format 9415msgid "" 9416"Sorry, I can not read the normal modes from '%s' file\n" 9417" Set debug = 1 in freq<MolecularFrequencies> object for obtain the normal " 9418"modes from MPQC\n" 9419msgstr "" 9420 9421#: ../src/OpenGL/Vibration.c:1591 9422#, c-format 9423msgid "Sorry, I can not read the modes of frequencies from '%s' file\n" 9424msgstr "" 9425 9426#: ../src/OpenGL/Vibration.c:1830 ../src/OpenGL/Vibration.c:3110 9427#, c-format 9428msgid "Sorry, I can not read Geometry from '%s' file\n" 9429msgstr "" 9430 9431#: ../src/OpenGL/Vibration.c:1850 ../src/OpenGL/Vibration.c:3131 9432#, c-format 9433msgid "Sorry, I can not read geometry from '%s' file\n" 9434msgstr "" 9435 9436#: ../src/OpenGL/Vibration.c:2965 9437msgid "" 9438"Sorry\n" 9439"No normal modes in this file : Use the Freq(SaveNM) option in your input file" 9440msgstr "" 9441 9442#: ../src/OpenGL/Vibration.c:2974 9443msgid "" 9444"Sorry\n" 9445"I can not the frequencies from this file" 9446msgstr "" 9447 9448#: ../src/OpenGL/Vibration.c:2983 9449msgid "" 9450"Sorry\n" 9451"I can not the normal modes from this file" 9452msgstr "" 9453 9454#: ../src/OpenGL/Vibration.c:4178 9455msgid " Scale factor " 9456msgstr "" 9457 9458#: ../src/OpenGL/Vibration.c:4190 9459msgid " Threshold(Bohr) " 9460msgstr "" 9461 9462#: ../src/OpenGL/Vibration.c:4214 9463msgid " Arrow radius " 9464msgstr "" 9465 9466#: ../src/OpenGL/Vibration.c:4226 9467msgid " Steps by cycle " 9468msgstr "" 9469 9470#: ../src/OpenGL/Vibration.c:4500 9471#, c-format 9472msgid "" 9473" You can read frequencies and normal modes from :\n" 9474" * a Gabedit input file.\n" 9475" * a Gaussian (g98 and g03) output file.\n" 9476" * a Molpro output file.\n" 9477" * a MPQC output file.\n" 9478" * a ADF output file. Only the 2004 version of ADF is supported\n" 9479" * a Molden input file.\n" 9480msgstr "" 9481 9482#: ../src/OpenGL/Vibration.c:4519 9483msgid "" 9484" For create an animated file :\n" 9485" ============================\n" 9486" 1) Read frequencies and normal modes from a Gaussian, Molpro, Gabedit, " 9487"Molden, ADF or MPQC output file.\n" 9488" 2) Select \"create a series of BMP (or PPM or POV) images\" button.\n" 9489" You can select your favorite directory by clicking to \"Directory\" " 9490"button.\n" 9491" 3) Click to Play button.\n" 9492" 4) After on cycle Gabedit create a series of BMP(gab*.bmp) or PPM (gab*." 9493"ppm) or POV(gab*.pov) files.\n" 9494" From these files, you can create a gif or a png animated file using " 9495"convert software.\n" 9496" with \"convert -delay 10 -loop 1000 gab*.bmp imageAnim.gif\" " 9497"command you can create a gif animated file.\n" 9498" with \"convert -delay 10 -loop 1000 gab*.bmp imageAnim.mng\" " 9499"command you can create a png animated file.\n" 9500"\n" 9501" For gab*.pov files :\n" 9502" You must initially create files gab*.bmp using gab*.pov files.\n" 9503" Then you can create the animated file using gab*.bmp file.\n" 9504"\n" 9505" You can use the xPovAnim script (from utils/povray directory) " 9506"for create the gif animated file from gab*.pov files.\n" 9507"\n" 9508" convert is a free software. You can download this(for any " 9509"system) from http://www.imagemagick.org\n" 9510" povray is a free software. You can download this(for any system) " 9511"from http://www.povray.org\n" 9512"\n" 9513msgstr "" 9514 9515#: ../src/OpenGL/ViewOrb.c:61 9516msgid "Gabedit : Orbitals/Density/Vibration" 9517msgstr "" 9518 9519#: ../src/Orca/Orca.c:166 9520msgid "Orca input" 9521msgstr "" 9522 9523#: ../src/Orca/Orca.c:169 9524msgid " Orca input " 9525msgstr "" 9526 9527#: ../src/Orca/OrcaKeywords.c:626 9528msgid "SCF convergence" 9529msgstr "" 9530 9531#: ../src/Orca/OrcaKeywords.c:1130 9532msgid "SCF Convergence" 9533msgstr "" 9534 9535#: ../src/Orca/OrcaKeywords.c:1143 9536msgid "Type of method" 9537msgstr "" 9538 9539#: ../src/Orca/OrcaKeywords.c:1170 9540msgid "Excited states" 9541msgstr "" 9542 9543#: ../src/QChem/QChem.c:173 9544msgid "QChem input" 9545msgstr "" 9546 9547#: ../src/QChem/QChem.c:176 9548msgid " QChem input " 9549msgstr "" 9550 9551#: ../src/QChem/QChemBasis.c:94 9552msgid "Sorry" 9553msgstr "" 9554 9555#: ../src/QChem/QChemGuess.c:220 9556msgid "Mixed alpha and beta orbitals" 9557msgstr "" 9558 9559#: ../src/QChem/QChemLib.c:52 ../src/QChem/QChemLib.c:78 9560#: ../src/QChem/QChemLib.c:126 ../src/QChem/QChemLib.c:179 9561#, c-format 9562msgid "" 9563"Sorry the qchemBasis is corrupted.\n" 9564"Please reinstall gabedit\n" 9565msgstr "" 9566 9567#: ../src/QChem/QChemRem.c:673 9568msgid "Exchange Type" 9569msgstr "" 9570 9571#: ../src/SemiEmpirical/SemiEmpirical.c:240 9572#: ../src/SemiEmpirical/SemiEmpirical.c:523 9573msgid "Problem : I cannot caculate the Gradient... " 9574msgstr "" 9575 9576#: ../src/SemiEmpirical/SemiEmpirical.c:241 9577#: ../src/SemiEmpirical/SemiEmpirical.c:524 9578msgid "Calculation Stopped " 9579msgstr "" 9580 9581#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:470 9582#, c-format 9583msgid "" 9584"Sorry, I cannot read the output file : %s ; Check also the installation of " 9585"Mopac..." 9586msgstr "" 9587 9588#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:708 9589#, c-format 9590msgid "" 9591"Sorry, I cannot read the output file : %s ; Check also the installation of " 9592"FireFly..." 9593msgstr "" 9594 9595#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:1006 9596#, c-format 9597msgid "" 9598"Sorry, I cannot read the output file : %s ; Check also the installation of " 9599"Orca..." 9600msgstr "" 9601 9602#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:1638 9603msgid "Charge & Multiplicity" 9604msgstr "" 9605 9606#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:2177 9607#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:2246 9608#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:2314 9609#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4579 9610#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4580 9611msgid "Model" 9612msgstr "" 9613 9614#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:2215 9615#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:2283 9616#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:2352 9617msgid "Additional keywords" 9618msgstr "" 9619 9620#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:2386 9621#, c-format 9622msgid "Semi-empirical calculation/%s" 9623msgstr "" 9624 9625#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:3508 9626#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:3765 9627#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:3786 9628msgid "Calculation Canceled " 9629msgstr "" 9630 9631#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:3555 9632msgid "" 9633"\n" 9634"\tGeometries after minimization by Mopac" 9635msgstr "" 9636 9637#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:3594 9638msgid "" 9639"\n" 9640"\tGeometries selected and optimized using your Semi-emperical potentials" 9641msgstr "" 9642 9643#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:3811 9644#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:3812 9645msgid "Molecular Dynamics Options" 9646msgstr "" 9647 9648#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:3826 9649#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4836 9650msgid "Heating" 9651msgstr "" 9652 9653#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:3834 9654#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4844 9655msgid "Equilibrium" 9656msgstr "" 9657 9658#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:3842 9659#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4852 9660msgid "Production" 9661msgstr "" 9662 9663#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:3850 9664msgid "Cooling" 9665msgstr "" 9666 9667#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:3858 9668#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4860 9669msgid "Time (ps)" 9670msgstr "" 9671 9672#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:3914 9673#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4906 9674msgid "Temperature (K)" 9675msgstr "" 9676 9677#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:3972 9678#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4954 9679msgid "Step size (fs)" 9680msgstr "" 9681 9682#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:3998 9683#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4980 9684msgid "Screen Rafresh after" 9685msgstr "" 9686 9687#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4024 9688#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:5006 9689msgid "steps" 9690msgstr "" 9691 9692#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4032 9693#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:5014 9694msgid "Collide(ps^-1)" 9695msgstr "" 9696 9697#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4058 9698#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:5040 9699msgid "Friction(ps^-1)" 9700msgstr "" 9701 9702#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4123 9703#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:5105 9704msgid "MD Trajectory via Verlet velocity Algorithm" 9705msgstr "" 9706 9707#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4133 9708#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:5115 9709msgid "MD Trajectory via Modified Beeman Algorithm" 9710msgstr "" 9711 9712#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4143 9713#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:5125 9714msgid "Stochastic Dynamics via Verlet velocity Algorithm" 9715msgstr "" 9716 9717#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4161 9718#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:5143 9719msgid "No constraints" 9720msgstr "" 9721 9722#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4172 9723#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:5154 9724msgid "Bond constraints" 9725msgstr "" 9726 9727#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4183 9728#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:5165 9729msgid "Bond & Angle constraints" 9730msgstr "" 9731 9732#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4201 9733#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:5183 9734msgid "Save Trajectory in " 9735msgstr "" 9736 9737#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4229 9738#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:5211 9739msgid "Save Properties in " 9740msgstr "" 9741 9742#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4296 9743msgid "" 9744"If \"MD Trajectory via Verlet velocity Algorithm\" is selected :\n" 9745" A molecular dynamic simulation is run using the Verlet velocity " 9746"Algorithm.\n" 9747" During the production step, the user can select the Andersen or " 9748"Berendsen thermostat which is then applied.\n" 9749" The Berendsen thermostat is applied for Heating, Equilibrium and " 9750"Cooling steps.\n" 9751"\n" 9752"If \"MD Trajectory via Modified Beeman Algorithm\" is selected :\n" 9753" A molecular dynamic simulation is run using the Modified Beeman " 9754"Algorithm.\n" 9755" During the production step, the user can select the Andersen or " 9756"Berendsen thermostat which is then applied.\n" 9757" The Berendsen thermostat is applied for Heating, Equilibrium and " 9758"Cooling steps.\n" 9759"\n" 9760"If \"Stochastic Dynamics via Verlet velocity Algorithm\" is selected :\n" 9761" A stochastic dynamic simulation is run using Verlet velocity " 9762"Algorithm.\n" 9763" The velocities are scaled (Berendsen method)during the Heating, " 9764"Equilibrium and Cooling steps.\n" 9765msgstr "" 9766 9767#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4331 9768msgid "" 9769"During the production step, Gabedit selects a number geometries\n" 9770"At the end of the molecular dynamic simulation,\n" 9771"the geometries are sorted by energy and are saved in a file.\n" 9772"Gabedit can also optimize these geometries, interactively.\n" 9773"The very similar molecular strcutures can be removed.\n" 9774"Gabedit can also creates input files for mopac, FireFly or Gaussian for a " 9775"post processing.\n" 9776"\n" 9777"If \"MD Trajectory via Verlet velocity Algorithm\" is selected :\n" 9778" A molecular dynamic simulation is run using the Verlet velocity " 9779"Algorithm.\n" 9780" During the production step, the user can select the Andersen or " 9781"Berendsen thermostat which is then applied.\n" 9782" The Berendsen thermostat is applied for Heating, Equilibrium and " 9783"Cooling steps.\n" 9784"\n" 9785"If \"MD Trajectory via Modified Beeman Algorithm\" is selected :\n" 9786" A molecular dynamic simulation is run using the Modified Beeman " 9787"Algorithm.\n" 9788" During the production step, the user can select the Andersen or " 9789"Berendsen thermostat which is then applied.\n" 9790" The Berendsen thermostat is applied for Heating, Equilibrium and " 9791"Cooling steps.\n" 9792"\n" 9793"If \"Stochastic Dynamics via Verlet velocity Algorithm\" is selected :\n" 9794" A stochastic dynamic simulation is run using Verlet velocity " 9795"Algorithm.\n" 9796" The velocities are scaled (Berendsen method)during the Heating, " 9797"Equilibrium and Cooling steps.\n" 9798msgstr "" 9799 9800#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4373 9801msgid "Post Processing" 9802msgstr "" 9803 9804#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4387 9805msgid "Minimization of selected geometries" 9806msgstr "" 9807 9808#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4400 9809msgid "No minimization of selected geometries" 9810msgstr "" 9811 9812#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4420 9813msgid "Remove identical molecular structures" 9814msgstr "" 9815 9816#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4428 9817msgid "Energy tolerance(KCal/mol)" 9818msgstr "" 9819 9820#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4455 9821msgid "Distance tolerance(Angstrom)" 9822msgstr "" 9823 9824#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4490 9825msgid "Create Mopac files. Keywords " 9826msgstr "" 9827 9828#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4515 9829msgid "Create Gaussian files. Keywords " 9830msgstr "" 9831 9832#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4541 9833msgid "Create FireFly files. Keywords " 9834msgstr "" 9835 9836#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4593 9837msgid "Use Mopac with method" 9838msgstr "" 9839 9840#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4623 9841msgid "Use FireFly with method" 9842msgstr "" 9843 9844#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4729 9845msgid "Number of selected geometries" 9846msgstr "" 9847 9848#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4752 9849msgid "Geometries saved in File" 9850msgstr "" 9851 9852#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4821 9853#: ../src/SemiEmpirical/SemiEmpiricalDlg.c:4822 9854msgid "Molecular Dynamics" 9855msgstr "" 9856 9857#: ../src/Spectrum/DOS.c:40 9858msgid "Density of states" 9859msgstr "" 9860 9861#: ../src/Spectrum/DOS.c:50 ../src/Spectrum/ECDSpectrum.c:119 9862#: ../src/Spectrum/NMRSpectrum.c:1722 ../src/Spectrum/UVSpectrum.c:119 9863msgid "Intensity" 9864msgstr "" 9865 9866#: ../src/Spectrum/DOS.c:60 ../src/Spectrum/ECDSpectrum.c:126 9867#: ../src/Spectrum/NMRSpectrum.c:1747 ../src/Spectrum/UVSpectrum.c:126 9868#, c-format 9869msgid "Sorry, I can not read energies from '%s' file\n" 9870msgstr "" 9871 9872#: ../src/Spectrum/DOS.c:147 9873msgid "Read energies from a Gabedit file" 9874msgstr "" 9875 9876#: ../src/Spectrum/DOS.c:207 9877msgid "Read energies from a sample file(1 column : Energy(eV))" 9878msgstr "" 9879 9880#: ../src/Spectrum/DOS.c:227 9881msgid "The number of states should be > 0" 9882msgstr "" 9883 9884#: ../src/Spectrum/ECDSpectrum.c:97 9885msgid "ECD/Visible spectrum" 9886msgstr "" 9887 9888#: ../src/Spectrum/ECDSpectrum.c:213 ../src/Spectrum/UVSpectrum.c:213 9889msgid "Read energies and intensities from a Gabedit file" 9890msgstr "" 9891 9892#: ../src/Spectrum/ECDSpectrum.c:223 ../src/Spectrum/UVSpectrum.c:223 9893msgid "Read energies and intensities from a Molden file" 9894msgstr "" 9895 9896#: ../src/Spectrum/ECDSpectrum.c:238 ../src/Spectrum/UVSpectrum.c:238 9897msgid "Read energies and intensities from a MPQC output file" 9898msgstr "" 9899 9900#: ../src/Spectrum/ECDSpectrum.c:253 ../src/Spectrum/UVSpectrum.c:253 9901msgid "Read energies and intensities from a Molpro output file" 9902msgstr "" 9903 9904#: ../src/Spectrum/ECDSpectrum.c:282 ../src/Spectrum/UVSpectrum.c:282 9905msgid "Read energies and intensities from a Dalton output file" 9906msgstr "" 9907 9908#: ../src/Spectrum/ECDSpectrum.c:297 ../src/Spectrum/UVSpectrum.c:362 9909msgid "Read energies and intensities from a Gamess output file" 9910msgstr "" 9911 9912#: ../src/Spectrum/ECDSpectrum.c:377 ../src/Spectrum/UVSpectrum.c:442 9913msgid "Read energies and intensities from a FireFly output file" 9914msgstr "" 9915 9916#: ../src/Spectrum/ECDSpectrum.c:491 ../src/Spectrum/UVSpectrum.c:514 9917msgid "Read energies and intensities from a Gaussian output file" 9918msgstr "" 9919 9920#: ../src/Spectrum/ECDSpectrum.c:630 ../src/Spectrum/UVSpectrum.c:653 9921msgid "Select the type of calculations" 9922msgstr "" 9923 9924#: ../src/Spectrum/ECDSpectrum.c:655 ../src/Spectrum/UVSpectrum.c:678 9925msgid "" 9926"More types of excitation energies has been detected\n" 9927"Please select one" 9928msgstr "" 9929 9930#: ../src/Spectrum/ECDSpectrum.c:757 ../src/Spectrum/UVSpectrum.c:780 9931msgid "Read energies and intensities from a Q-Chem output file" 9932msgstr "" 9933 9934#: ../src/Spectrum/ECDSpectrum.c:840 ../src/Spectrum/UVSpectrum.c:863 9935msgid "Read energies and intensities from a Orca output file" 9936msgstr "" 9937 9938#: ../src/Spectrum/ECDSpectrum.c:855 ../src/Spectrum/UVSpectrum.c:878 9939msgid "Read energies and intensities from a ADF output file" 9940msgstr "" 9941 9942#: ../src/Spectrum/ECDSpectrum.c:915 ../src/Spectrum/NMRSpectrum.c:1805 9943#: ../src/Spectrum/UVSpectrum.c:938 9944msgid "" 9945"Read energies and intensities from a sample file(2columns : first = Energy" 9946"(eV), second = intensity)" 9947msgstr "" 9948 9949#: ../src/Spectrum/IRSpectrum.c:94 9950msgid "IR spectrum" 9951msgstr "" 9952 9953#: ../src/Spectrum/IRSpectrum.c:252 ../src/Spectrum/RamanSpectrum.c:253 9954msgid "Read frequencies and intensities from a Gabedit file" 9955msgstr "" 9956 9957#: ../src/Spectrum/IRSpectrum.c:262 ../src/Spectrum/RamanSpectrum.c:263 9958msgid "Read frequencies and intensities from a Molden file" 9959msgstr "" 9960 9961#: ../src/Spectrum/IRSpectrum.c:277 ../src/Spectrum/RamanSpectrum.c:278 9962msgid "Read frequencies and intensities from a MPQC output file" 9963msgstr "" 9964 9965#: ../src/Spectrum/IRSpectrum.c:375 ../src/Spectrum/RamanSpectrum.c:293 9966msgid "Read frequencies and intensities from a Molpro output file" 9967msgstr "" 9968 9969#: ../src/Spectrum/IRSpectrum.c:500 ../src/Spectrum/RamanSpectrum.c:322 9970msgid "Read last frequencies and intensities from a Dalton output file" 9971msgstr "" 9972 9973#: ../src/Spectrum/IRSpectrum.c:637 ../src/Spectrum/RamanSpectrum.c:459 9974msgid "Read last frequencies and intensities from a Gamess output file" 9975msgstr "" 9976 9977#: ../src/Spectrum/IRSpectrum.c:728 ../src/Spectrum/RamanSpectrum.c:550 9978msgid "Read last frequencies and intensities from a Gaussian output file" 9979msgstr "" 9980 9981#: ../src/Spectrum/IRSpectrum.c:825 9982msgid "Read last frequencies and intensities from a Q-Chem output file" 9983msgstr "" 9984 9985#: ../src/Spectrum/IRSpectrum.c:974 ../src/Spectrum/RamanSpectrum.c:565 9986msgid "Read last frequencies and intensities from a ADF output file" 9987msgstr "" 9988 9989#: ../src/Spectrum/IRSpectrum.c:1055 ../src/Spectrum/RamanSpectrum.c:646 9990msgid "Read last frequencies and intensities from a Orca output file" 9991msgstr "" 9992 9993#: ../src/Spectrum/IRSpectrum.c:1115 ../src/Spectrum/RamanSpectrum.c:706 9994msgid "" 9995"Read frequencies and intensities from a sample file(2columns : first = Energy" 9996"(cm-1), second = intensity)" 9997msgstr "" 9998 9999#: ../src/Spectrum/IRSpectrum.c:1145 10000msgid "For draw spectrum,Sorry, Please read a file before" 10001msgstr "" 10002 10003#: ../src/Spectrum/NMRSpectrum.c:194 ../src/Spectrum/NMRSpectrum.c:875 10004#: ../src/Spectrum/NMRSpectrum.c:1100 10005#, c-format 10006msgid "" 10007"Sorry\n" 10008"The number of spins is larger than %d.\n" 10009msgstr "" 10010 10011#: ../src/Spectrum/NMRSpectrum.c:915 ../src/Spectrum/NMRSpectrum.c:1129 10012#, c-format 10013msgid "" 10014"Sorry\n" 10015" Not enough memory : nBasis = %d sizeTrans = %d\n" 10016msgstr "" 10017 10018#: ../src/Spectrum/NMRSpectrum.c:1405 10019msgid "" 10020"Read NMR Operating frequency, chemical shift and Spin-Spin coupling data" 10021msgstr "" 10022 10023#: ../src/Spectrum/NMRSpectrum.c:1505 10024msgid "Save NMR data" 10025msgstr "" 10026 10027#: ../src/Spectrum/NMRSpectrum.c:1605 10028msgid "shift(ppm)" 10029msgstr "" 10030 10031#: ../src/Spectrum/NMRSpectrum.c:1607 10032msgid "# spins" 10033msgstr "" 10034 10035#: ../src/Spectrum/NMRSpectrum.c:1609 10036msgid "Coupling Constants(Hz)" 10037msgstr "" 10038 10039#: ../src/Spectrum/NMRSpectrum.c:1632 10040msgid "Operating Frequency : " 10041msgstr "" 10042 10043#: ../src/Spectrum/NMRSpectrum.c:1639 10044msgid "Read" 10045msgstr "" 10046 10047#: ../src/Spectrum/NMRSpectrum.c:1644 ../src/Utils/GabeditContoursPlot.c:5057 10048#: ../src/Utils/GabeditXYPlot.c:4301 ../src/Utils/UtilsInterface.c:563 10049#: ../src/Utils/UtilsInterface.c:564 10050#: ../src/VibrationalCorrections/GabeditGaussianInput.c:267 10051msgid "Save" 10052msgstr "" 10053 10054#: ../src/Spectrum/NMRSpectrum.c:1668 10055msgid "Chemical shift & Spin-Spin coupling parameters" 10056msgstr "" 10057 10058#: ../src/Spectrum/NMRSpectrum.c:1700 ../src/Spectrum/NMRSpectrum.c:1702 10059msgid "NMR spectrum" 10060msgstr "" 10061 10062#: ../src/Spectrum/NMRSpectrum.c:1721 10063msgid "Frequency(ppm)" 10064msgstr "" 10065 10066#: ../src/Spectrum/NMRSpectrum.c:1727 10067msgid "Set parameters" 10068msgstr "" 10069 10070#: ../src/Spectrum/RamanSpectrum.c:92 10071msgid "Raman spectrum" 10072msgstr "" 10073 10074#: ../src/Spectrum/RamanSpectrum.c:735 10075msgid "Sorry, For draw spectrum, Please read a file before" 10076msgstr "" 10077 10078#: ../src/Spectrum/SpectrumWin.c:612 10079#, c-format 10080msgid "Mouse position: %lf, %lf" 10081msgstr "" 10082 10083#: ../src/Spectrum/SpectrumWin.c:997 10084msgid "Set data" 10085msgstr "" 10086 10087#: ../src/Spectrum/SpectrumWin.c:1011 10088msgid "No convolution" 10089msgstr "" 10090 10091#: ../src/Spectrum/SpectrumWin.c:1023 10092msgid "Show peaks" 10093msgstr "" 10094 10095#: ../src/Spectrum/SpectrumWin.c:1027 10096msgid "Set ymax=1" 10097msgstr "" 10098 10099#: ../src/Spectrum/SpectrumWin.c:1035 ../src/Utils/GabeditContoursPlot.c:2976 10100#: ../src/Utils/GabeditXYPlot.c:2509 10101msgid "X Min: " 10102msgstr "" 10103 10104#: ../src/Spectrum/SpectrumWin.c:1046 ../src/Utils/GabeditContoursPlot.c:2987 10105#: ../src/Utils/GabeditXYPlot.c:2520 10106msgid "X Max: " 10107msgstr "" 10108 10109#: ../src/Spectrum/SpectrumWin.c:1057 10110msgid "Half-Width : " 10111msgstr "" 10112 10113#: ../src/Spectrum/SpectrumWin.c:1067 ../src/Utils/GabeditContoursPlot.c:4975 10114#: ../src/Utils/GabeditXYPlot.c:4243 ../src/Utils/GabeditXYPlot.c:4490 10115msgid "Scale X : " 10116msgstr "" 10117 10118#: ../src/Spectrum/SpectrumWin.c:1077 ../src/Utils/GabeditContoursPlot.c:4985 10119#: ../src/Utils/GabeditXYPlot.c:4253 ../src/Utils/GabeditXYPlot.c:4500 10120msgid "Scale Y : " 10121msgstr "" 10122 10123#: ../src/Spectrum/SpectrumWin.c:1087 ../src/Utils/GabeditXYPlot.c:4263 10124#: ../src/Utils/GabeditXYPlot.c:4510 10125msgid "Shift X : " 10126msgstr "" 10127 10128#: ../src/Spectrum/UVSpectrum.c:97 10129msgid "UV/Visible spectrum" 10130msgstr "" 10131 10132#: ../src/Spectrum/UVSpectrum.c:690 10133msgid "Type :" 10134msgstr "" 10135 10136#: ../src/Symmetry/MoleculeSymmetry.c:95 10137#, c-format 10138msgid "Warning: Two atoms on same position\n" 10139msgstr "" 10140 10141#: ../src/Symmetry/MoleculeSymmetry.c:363 10142#: ../src/Symmetry/MoleculeSymmetry.c:415 10143#, c-format 10144msgid "" 10145"Nonlinear molecule with symmetry Cinf! Try smaller precision for atom " 10146"position\n" 10147"Current precision = %0.5f" 10148msgstr "" 10149 10150#: ../src/Symmetry/MoleculeSymmetry.c:452 10151#, c-format 10152msgid "" 10153"Could not find symmetry axis (see tolerance parameters)\n" 10154"Current precision for position of atoms = %0.5f\n" 10155"Current tolerance for principal axis = %0.5f" 10156msgstr "" 10157 10158#: ../src/Symmetry/MoleculeSymmetry.c:467 10159#, c-format 10160msgid "Irregular 3-fold axis detected\n" 10161msgstr "" 10162 10163#: ../src/Symmetry/MoleculeSymmetry.c:542 10164#, c-format 10165msgid "Unknown symmetry - set to C1" 10166msgstr "" 10167 10168#: ../src/Symmetry/MoleculeSymmetry.c:675 10169#: ../src/Symmetry/MoleculeSymmetry.c:858 10170#, c-format 10171msgid "Not enough memory for molecule" 10172msgstr "" 10173 10174#: ../src/Symmetry/MoleculeSymmetryInterface.c:66 10175#, c-format 10176msgid "Group Symmetry : %s\n" 10177msgstr "" 10178 10179#: ../src/Symmetry/MoleculeSymmetryInterface.c:84 10180#, c-format 10181msgid "" 10182"Abelian Group Name : %s\n" 10183"\n" 10184msgstr "" 10185 10186#: ../src/Symmetry/MoleculeSymmetryInterface.c:97 10187#, c-format 10188msgid "Elements : " 10189msgstr "" 10190 10191#: ../src/Symmetry/MoleculeSymmetryInterface.c:121 10192#, c-format 10193msgid "%d is the number of atoms\n" 10194msgstr "" 10195 10196#: ../src/Symmetry/MoleculeSymmetryInterface.c:123 10197#, c-format 10198msgid " Positions are in Ang\n" 10199msgstr "" 10200 10201#: ../src/Symmetry/MoleculeSymmetryInterface.c:196 10202msgid "Group symmetry & Geometry with standard orientation" 10203msgstr "" 10204 10205#: ../src/Symmetry/MoleculeSymmetryInterface.c:222 10206#: ../src/Symmetry/MoleculeSymmetryInterface.c:334 10207#, c-format 10208msgid "Group & Geometry with reduction of molecule to its basis set of atoms\n" 10209msgstr "" 10210 10211#: ../src/Symmetry/MoleculeSymmetryInterface.c:227 10212#: ../src/Symmetry/MoleculeSymmetryInterface.c:239 10213#: ../src/Symmetry/MoleculeSymmetryInterface.c:339 10214#, c-format 10215msgid "Group & Geometry\n" 10216msgstr "" 10217 10218#: ../src/Symmetry/MoleculeSymmetryInterface.c:237 10219#, c-format 10220msgid "NO" 10221msgstr "" 10222 10223#: ../src/Symmetry/MoleculeSymmetryInterface.c:468 10224msgid "Tolerance for principal axis" 10225msgstr "" 10226 10227#: ../src/Symmetry/MoleculeSymmetryInterface.c:526 10228msgid "Tolerance for atom positions" 10229msgstr "" 10230 10231#: ../src/Symmetry/MoleculeSymmetryInterface.c:586 10232#, c-format 10233msgid "Tolerance for computing the point group" 10234msgstr "" 10235 10236#: ../src/Utils/AtomsProp.c:256 10237#, c-format 10238msgid "Warning : Sorry , Your atom %s is not defined\n" 10239msgstr "" 10240 10241#: ../src/Utils/AtomsProp.c:900 ../src/Utils/AtomsProp.c:909 10242#: ../src/Utils/AtomsProp.c:918 ../src/Utils/AtomsProp.c:927 10243#: ../src/Utils/AtomsProp.c:936 ../src/Utils/AtomsProp.c:945 10244msgid "ERROR : the entry text is not a number" 10245msgstr "" 10246 10247#: ../src/Utils/AtomsProp.c:986 10248msgid "" 10249"Warning : sum of abundances is not equal to 100!\n" 10250" Reset the mass to 0 for remove an isotope " 10251msgstr "" 10252 10253#: ../src/Utils/AtomsProp.c:1216 10254msgid "Name" 10255msgstr "" 10256 10257#: ../src/Utils/AtomsProp.c:1226 10258msgid "Atomic Number" 10259msgstr "" 10260 10261#: ../src/Utils/AtomsProp.c:1301 10262msgid "Atom Color" 10263msgstr "" 10264 10265#: ../src/Utils/AtomsProp.c:1304 10266msgid "Set Color" 10267msgstr "" 10268 10269#: ../src/Utils/AtomsProp.c:1342 10270msgid " Set properties " 10271msgstr "" 10272 10273#: ../src/Utils/AtomsProp.c:1475 10274msgid " Properties " 10275msgstr "" 10276 10277#: ../src/Utils/ConvUtils.c:765 10278msgid " Source " 10279msgstr "" 10280 10281#: ../src/Utils/ConvUtils.c:784 10282msgid " Target " 10283msgstr "" 10284 10285#: ../src/Utils/ConvUtils.c:854 10286msgid "Conversion utility" 10287msgstr "" 10288 10289#: ../src/Utils/ConvUtils.c:870 10290msgid "Time" 10291msgstr "" 10292 10293#: ../src/Utils/ConvUtils.c:873 10294msgid "Length" 10295msgstr "" 10296 10297#: ../src/Utils/ConvUtils.c:879 10298msgid "Acceleration" 10299msgstr "" 10300 10301#: ../src/Utils/ConvUtils.c:882 10302msgid "Force" 10303msgstr "" 10304 10305#: ../src/Utils/ConvUtils.c:885 10306msgid "Masse" 10307msgstr "" 10308 10309#: ../src/Utils/ConvUtils.c:888 10310msgid "Pressure" 10311msgstr "" 10312 10313#: ../src/Utils/ConvUtils.c:891 10314msgid "Angular momentum(Action)" 10315msgstr "" 10316 10317#: ../src/Utils/ConvUtils.c:899 10318msgid "Electric current" 10319msgstr "" 10320 10321#: ../src/Utils/ConvUtils.c:902 10322msgid "Electric charge" 10323msgstr "" 10324 10325#: ../src/Utils/ConvUtils.c:905 10326msgid "Voltage" 10327msgstr "" 10328 10329#: ../src/Utils/ConvUtils.c:911 10330msgid "Electric field gradient" 10331msgstr "" 10332 10333#: ../src/Utils/ConvUtils.c:916 10334msgid "Electric dipole moment" 10335msgstr "" 10336 10337#: ../src/Utils/ConvUtils.c:919 10338msgid "Electric quadrupole moment" 10339msgstr "" 10340 10341#: ../src/Utils/ConvUtils.c:922 10342msgid "Electric dipole polarizability" 10343msgstr "" 10344 10345#: ../src/Utils/ConvUtils.c:924 10346msgid "First electric dipole hyperpolarizability" 10347msgstr "" 10348 10349#: ../src/Utils/ConvUtils.c:927 10350msgid "Second electric dipole hyperpolarizability" 10351msgstr "" 10352 10353#: ../src/Utils/ConvUtils.c:934 10354msgid "Magnetic induction" 10355msgstr "" 10356 10357#: ../src/Utils/ConvUtils.c:937 10358msgid "Magnetic dipole moment" 10359msgstr "" 10360 10361#: ../src/Utils/ConvUtils.c:940 10362msgid "Magnetizability" 10363msgstr "" 10364 10365#: ../src/Utils/GTF.c:106 10366#, c-format 10367msgid "Divergence in F, Ionic integrals" 10368msgstr "" 10369 10370#: ../src/Utils/GTF.c:744 10371#, c-format 10372msgid "A Contacted Gaussian Type function is nul" 10373msgstr "" 10374 10375#: ../src/Utils/GabeditContoursPlot.c:733 ../src/Utils/GabeditXYPlot.c:512 10376msgid "Are you sure to remove all data ?" 10377msgstr "" 10378 10379#: ../src/Utils/GabeditContoursPlot.c:1555 10380msgid "Error : The number of points should be a positive integer. " 10381msgstr "" 10382 10383#: ../src/Utils/GabeditContoursPlot.c:1706 10384msgid "" 10385"No data available :\n" 10386" You should read a file" 10387msgstr "" 10388 10389#: ../src/Utils/GabeditContoursPlot.c:1712 10390msgid "Create contours" 10391msgstr "" 10392 10393#: ../src/Utils/GabeditContoursPlot.c:1979 10394#: ../src/Utils/GabeditContoursPlot.c:4851 ../src/Utils/GabeditXYPlot.c:857 10395msgid "Set label" 10396msgstr "" 10397 10398#: ../src/Utils/GabeditContoursPlot.c:2001 ../src/Utils/GabeditXYPlot.c:879 10399msgid "Label : " 10400msgstr "" 10401 10402#: ../src/Utils/GabeditContoursPlot.c:2018 ../src/Utils/GabeditXYPlot.c:896 10403msgid "" 10404"You can use the Pango Text Attribute Markup Language\n" 10405"Example : <span foreground='blue' font_desc='Sans 20'>Blue text</span> is " 10406"<i>cool</i>!\n" 10407"\n" 10408"For insert a special character : control shift u + code UTF8\n" 10409"Examples : \n" 10410" control shift u + 03B1 for alpha (greek)\n" 10411" control shift u + 03B2 for beta (greek)\n" 10412" control shift u + 03A3 for cap Sigma (greek)\n" 10413" See http://www.utf8-chartable.de\n" 10414msgstr "" 10415 10416#: ../src/Utils/GabeditContoursPlot.c:2313 ../src/Utils/GabeditXYPlot.c:1191 10417msgid "Set line options" 10418msgstr "" 10419 10420#: ../src/Utils/GabeditContoursPlot.c:2335 10421#: ../src/Utils/GabeditContoursPlot.c:4785 10422#: ../src/Utils/GabeditContoursPlot.c:6554 ../src/Utils/GabeditXYPlot.c:1213 10423#: ../src/Utils/GabeditXYPlot.c:4167 ../src/Utils/GabeditXYPlot.c:4414 10424#: ../src/Utils/GabeditXYPlot.c:5712 10425msgid "Line width :" 10426msgstr "" 10427 10428#: ../src/Utils/GabeditContoursPlot.c:2347 10429#: ../src/Utils/GabeditContoursPlot.c:4795 ../src/Utils/GabeditXYPlot.c:1225 10430#: ../src/Utils/GabeditXYPlot.c:4177 ../src/Utils/GabeditXYPlot.c:4424 10431msgid "Line type :" 10432msgstr "" 10433 10434#: ../src/Utils/GabeditContoursPlot.c:2363 10435#: ../src/Utils/GabeditContoursPlot.c:4807 ../src/Utils/GabeditXYPlot.c:1241 10436#: ../src/Utils/GabeditXYPlot.c:4189 ../src/Utils/GabeditXYPlot.c:4436 10437msgid "Line color :" 10438msgstr "" 10439 10440#: ../src/Utils/GabeditContoursPlot.c:2372 ../src/Utils/GabeditXYPlot.c:1250 10441msgid "Arrow size :" 10442msgstr "" 10443 10444#: ../src/Utils/GabeditContoursPlot.c:2465 ../src/Utils/GabeditXYPlot.c:1428 10445#: ../src/Utils/GabeditXYPlot.c:1529 ../src/Utils/GabeditXYPlot.c:1707 10446#: ../src/Utils/GabeditXYPlot.c:1776 ../src/Utils/GabeditXYPlot.c:1849 10447#: ../src/Utils/GabeditXYPlot.c:2000 10448#, c-format 10449msgid "Error reading file '%s'" 10450msgstr "" 10451 10452#: ../src/Utils/GabeditContoursPlot.c:2500 10453msgid "" 10454"Read data from an ASCII grid file(xsize, xmin, xmax, ysize, ymin, ymax, " 10455"Zvalues)" 10456msgstr "" 10457 10458#: ../src/Utils/GabeditContoursPlot.c:2547 10459msgid "" 10460"Save data in an ASCII grid file(xsize, xmin, xmax, ysize, ymin, ymax, " 10461"Zvalues)" 10462msgstr "" 10463 10464#: ../src/Utils/GabeditContoursPlot.c:2584 ../src/Utils/GabeditXYPlot.c:2117 10465msgid "Are you sure to delete this data ?" 10466msgstr "" 10467 10468#: ../src/Utils/GabeditContoursPlot.c:2611 ../src/Utils/GabeditXYPlot.c:2144 10469msgid "Font size" 10470msgstr "" 10471 10472#: ../src/Utils/GabeditContoursPlot.c:2637 ../src/Utils/GabeditXYPlot.c:2170 10473msgid "Set font size" 10474msgstr "" 10475 10476#: ../src/Utils/GabeditContoursPlot.c:2684 ../src/Utils/GabeditXYPlot.c:2217 10477msgid "Digits" 10478msgstr "" 10479 10480#: ../src/Utils/GabeditContoursPlot.c:2726 ../src/Utils/GabeditXYPlot.c:2259 10481msgid "Set digits" 10482msgstr "" 10483 10484#: ../src/Utils/GabeditContoursPlot.c:2824 ../src/Utils/GabeditXYPlot.c:2357 10485msgid "Set labels" 10486msgstr "" 10487 10488#: ../src/Utils/GabeditContoursPlot.c:2968 ../src/Utils/GabeditXYPlot.c:2501 10489msgid "Ranges" 10490msgstr "" 10491 10492#: ../src/Utils/GabeditContoursPlot.c:2998 ../src/Utils/GabeditXYPlot.c:2531 10493msgid "Y Min: " 10494msgstr "" 10495 10496#: ../src/Utils/GabeditContoursPlot.c:3009 ../src/Utils/GabeditXYPlot.c:2542 10497msgid "Y Max: " 10498msgstr "" 10499 10500#: ../src/Utils/GabeditContoursPlot.c:3032 ../src/Utils/GabeditXYPlot.c:2565 10501msgid "Set ranges" 10502msgstr "" 10503 10504#: ../src/Utils/GabeditContoursPlot.c:3109 ../src/Utils/GabeditXYPlot.c:2642 10505msgid "Ticks" 10506msgstr "" 10507 10508#: ../src/Utils/GabeditContoursPlot.c:3121 ../src/Utils/GabeditXYPlot.c:2654 10509msgid "X Major: " 10510msgstr "" 10511 10512#: ../src/Utils/GabeditContoursPlot.c:3133 ../src/Utils/GabeditXYPlot.c:2666 10513msgid "Y Major: " 10514msgstr "" 10515 10516#: ../src/Utils/GabeditContoursPlot.c:3145 ../src/Utils/GabeditXYPlot.c:2678 10517msgid "X Minor: " 10518msgstr "" 10519 10520#: ../src/Utils/GabeditContoursPlot.c:3157 ../src/Utils/GabeditXYPlot.c:2690 10521msgid "Y Minor: " 10522msgstr "" 10523 10524#: ../src/Utils/GabeditContoursPlot.c:3169 ../src/Utils/GabeditXYPlot.c:2702 10525msgid "Length: " 10526msgstr "" 10527 10528#: ../src/Utils/GabeditContoursPlot.c:3196 ../src/Utils/GabeditXYPlot.c:2729 10529msgid "Set ticks" 10530msgstr "" 10531 10532#: ../src/Utils/GabeditContoursPlot.c:3242 ../src/Utils/GabeditXYPlot.c:2775 10533msgid "Axes" 10534msgstr "" 10535 10536#: ../src/Utils/GabeditContoursPlot.c:3250 ../src/Utils/GabeditXYPlot.c:2783 10537msgid "Reflect X" 10538msgstr "" 10539 10540#: ../src/Utils/GabeditContoursPlot.c:3254 ../src/Utils/GabeditXYPlot.c:2787 10541msgid "Reflect Y" 10542msgstr "" 10543 10544#: ../src/Utils/GabeditContoursPlot.c:3318 ../src/Utils/GabeditXYPlot.c:2851 10545msgid "Left" 10546msgstr "" 10547 10548#: ../src/Utils/GabeditContoursPlot.c:3322 ../src/Utils/GabeditXYPlot.c:2855 10549msgid "Right" 10550msgstr "" 10551 10552#: ../src/Utils/GabeditContoursPlot.c:3326 ../src/Utils/GabeditXYPlot.c:2859 10553msgid "Top" 10554msgstr "" 10555 10556#: ../src/Utils/GabeditContoursPlot.c:3330 ../src/Utils/GabeditXYPlot.c:2863 10557msgid "Bottom" 10558msgstr "" 10559 10560#: ../src/Utils/GabeditContoursPlot.c:3398 ../src/Utils/GabeditXYPlot.c:2931 10561msgid "H major" 10562msgstr "" 10563 10564#: ../src/Utils/GabeditContoursPlot.c:3402 ../src/Utils/GabeditXYPlot.c:2935 10565msgid "V major" 10566msgstr "" 10567 10568#: ../src/Utils/GabeditContoursPlot.c:3406 ../src/Utils/GabeditXYPlot.c:2939 10569msgid "H minor" 10570msgstr "" 10571 10572#: ../src/Utils/GabeditContoursPlot.c:3410 ../src/Utils/GabeditXYPlot.c:2943 10573msgid "V minor" 10574msgstr "" 10575 10576#: ../src/Utils/GabeditContoursPlot.c:3432 ../src/Utils/GabeditXYPlot.c:2965 10577msgid "Set" 10578msgstr "" 10579 10580#: ../src/Utils/GabeditContoursPlot.c:3974 ../src/Utils/GabeditXYPlot.c:3450 10581msgid "This is not a Gabedit file\n" 10582msgstr "" 10583 10584#: ../src/Utils/GabeditContoursPlot.c:4005 10585msgid "I can not read the ContoursPlot data\n" 10586msgstr "" 10587 10588#: ../src/Utils/GabeditContoursPlot.c:4103 10589msgid "Save Contours plot" 10590msgstr "" 10591 10592#: ../src/Utils/GabeditContoursPlot.c:4227 10593msgid "Export Contours plot" 10594msgstr "" 10595 10596#: ../src/Utils/GabeditContoursPlot.c:4777 ../src/Utils/GabeditXYPlot.c:4159 10597#: ../src/Utils/GabeditXYPlot.c:4406 10598msgid "Set line type" 10599msgstr "" 10600 10601#: ../src/Utils/GabeditContoursPlot.c:4816 ../src/Utils/GabeditXYPlot.c:4198 10602#: ../src/Utils/GabeditXYPlot.c:4445 10603msgid "Set point type" 10604msgstr "" 10605 10606#: ../src/Utils/GabeditContoursPlot.c:4824 ../src/Utils/GabeditXYPlot.c:4206 10607#: ../src/Utils/GabeditXYPlot.c:4453 10608msgid "Point size :" 10609msgstr "" 10610 10611#: ../src/Utils/GabeditContoursPlot.c:4834 ../src/Utils/GabeditXYPlot.c:4216 10612#: ../src/Utils/GabeditXYPlot.c:4463 10613msgid "Point type :" 10614msgstr "" 10615 10616#: ../src/Utils/GabeditContoursPlot.c:4842 ../src/Utils/GabeditXYPlot.c:4224 10617#: ../src/Utils/GabeditXYPlot.c:4471 10618msgid "Point color :" 10619msgstr "" 10620 10621#: ../src/Utils/GabeditContoursPlot.c:4864 10622msgid " Label " 10623msgstr "" 10624 10625#: ../src/Utils/GabeditContoursPlot.c:4876 10626#: ../src/Utils/GabeditContoursPlot.c:4887 10627msgid " X label " 10628msgstr "" 10629 10630#: ../src/Utils/GabeditContoursPlot.c:4951 ../src/Utils/GabeditXYPlot.c:4145 10631msgid "Set data options" 10632msgstr "" 10633 10634#: ../src/Utils/GabeditContoursPlot.c:4995 10635msgid "Scale Z : " 10636msgstr "" 10637 10638#: ../src/Utils/GabeditContoursPlot.c:5009 10639msgid "Shift X : " 10640msgstr "" 10641 10642#: ../src/Utils/GabeditContoursPlot.c:5019 10643msgid "Shift Y : " 10644msgstr "" 10645 10646#: ../src/Utils/GabeditContoursPlot.c:5030 10647msgid "Shift Z : " 10648msgstr "" 10649 10650#: ../src/Utils/GabeditContoursPlot.c:5048 ../src/Utils/GabeditXYPlot.c:4292 10651msgid "Auto ranges" 10652msgstr "" 10653 10654#: ../src/Utils/GabeditContoursPlot.c:5052 ../src/Utils/GabeditXYPlot.c:4296 10655#: ../src/Utils/GabeditXYPlot.c:4539 10656msgid "Auto ranges all" 10657msgstr "" 10658 10659#: ../src/Utils/GabeditContoursPlot.c:5061 ../src/Utils/GabeditXYPlot.c:4305 10660msgid "Remove" 10661msgstr "" 10662 10663#: ../src/Utils/GabeditContoursPlot.c:5136 10664msgid "Error : The number of labels should be a positive integer. " 10665msgstr "" 10666 10667#: ../src/Utils/GabeditContoursPlot.c:5355 10668msgid " # of labels " 10669msgstr "" 10670 10671#: ../src/Utils/GabeditContoursPlot.c:5843 10672#, c-format 10673msgid "building menus of contoursplot failed: %s" 10674msgstr "" 10675 10676#: ../src/Utils/GabeditContoursPlot.c:6532 ../src/Utils/GabeditXYPlot.c:5690 10677msgid "Set theme" 10678msgstr "" 10679 10680#: ../src/Utils/GabeditContoursPlot.c:6564 ../src/Utils/GabeditXYPlot.c:5722 10681msgid "Background color :" 10682msgstr "" 10683 10684#: ../src/Utils/GabeditContoursPlot.c:6573 ../src/Utils/GabeditXYPlot.c:5731 10685msgid "Foreground color :" 10686msgstr "" 10687 10688#: ../src/Utils/GabeditContoursPlot.c:7891 10689msgid "popup menu of contoursplot failed" 10690msgstr "" 10691 10692#: ../src/Utils/GabeditContoursPlot.c:9825 10693msgid "" 10694"Mouse buttons and Keys :\n" 10695"\t Right button : popup menu\n" 10696"\t Middle button : zoom\n" 10697"\t Left button + Control key : zoom\n" 10698"\t Left button + Shift key : compute distance between 2 points\n" 10699"\t d key : compute f and its dervivatives, using a bicubic interpolation\n" 10700"\t Left button + t key : insert a text\n" 10701"\t Left button + l key : insert a line (arrow)\n" 10702"\t Left button, double click : select a data to change\n" 10703"\n" 10704"\n" 10705"Popup menu :\n" 10706"\t Set : ticks, ranges, X and Y labels, digits, font size, auto ranges\n" 10707"\t Render : grids, directions, legends, colormap\n" 10708"\t Data : read data from a grid ASCII file (txt)\n" 10709"\t Save all data at a txt file\n" 10710"\t Remove all all\n" 10711"\t Contours : set values or delete contours\n" 10712"\t ColorMap : set colormap\n" 10713"\t Screen capture : BMP, JPEG, PNG, Transparent PNG, TIF\n" 10714"\t Export image : SVG, PS, EPS and PDF (this is a real export, not a " 10715"capture)\n" 10716"\t Help : for obtain this window (You guessed :))\n" 10717"\t Close : very simple :)\n" 10718msgstr "" 10719 10720#: ../src/Utils/GabeditContoursPlot.c:9853 ../src/Utils/GabeditXYPlot.c:8799 10721msgid "Help" 10722msgstr "" 10723 10724#: ../src/Utils/GabeditXYPlot.c:1451 10725msgid "Read data from an ASCII X.Y1..Yn file(x, y1, y2,...,yn)" 10726msgstr "" 10727 10728#: ../src/Utils/GabeditXYPlot.c:1551 10729msgid "Read data from an ASCII XY file(2 columns)" 10730msgstr "" 10731 10732#: ../src/Utils/GabeditXYPlot.c:1889 10733#, c-format 10734msgid "Error reading file '%s', The type of data in this file is unknown" 10735msgstr "" 10736 10737#: ../src/Utils/GabeditXYPlot.c:1908 10738msgid "Read data from a jdx file" 10739msgstr "" 10740 10741#: ../src/Utils/GabeditXYPlot.c:2036 10742msgid "Read data from a jMRUI Text file" 10743msgstr "" 10744 10745#: ../src/Utils/GabeditXYPlot.c:2060 10746msgid "Save data in an ASCII XY file(2 columns)" 10747msgstr "" 10748 10749#: ../src/Utils/GabeditXYPlot.c:2081 10750msgid "Save all data in an ASCII XY file(2 columns)" 10751msgstr "" 10752 10753#: ../src/Utils/GabeditXYPlot.c:2229 10754msgid " X " 10755msgstr "" 10756 10757#: ../src/Utils/GabeditXYPlot.c:2237 10758msgid " Y " 10759msgstr "" 10760 10761#: ../src/Utils/GabeditXYPlot.c:2321 10762msgid "X : " 10763msgstr "" 10764 10765#: ../src/Utils/GabeditXYPlot.c:2334 10766msgid "Y : " 10767msgstr "" 10768 10769#: ../src/Utils/GabeditXYPlot.c:2843 10770msgid "Legends" 10771msgstr "" 10772 10773#: ../src/Utils/GabeditXYPlot.c:3160 10774msgid "Save as Gabedit format" 10775msgstr "" 10776 10777#: ../src/Utils/GabeditXYPlot.c:3471 10778msgid "I can not read the XYPlot data\n" 10779msgstr "" 10780 10781#: ../src/Utils/GabeditXYPlot.c:3495 10782msgid "Read a Gabedit file" 10783msgstr "" 10784 10785#: ../src/Utils/GabeditXYPlot.c:3569 10786msgid "Save XY plot" 10787msgstr "" 10788 10789#: ../src/Utils/GabeditXYPlot.c:3700 10790msgid "Export XY plot" 10791msgstr "" 10792 10793#: ../src/Utils/GabeditXYPlot.c:4273 ../src/Utils/GabeditXYPlot.c:4520 10794msgid "Shift Y : " 10795msgstr "" 10796 10797#: ../src/Utils/GabeditXYPlot.c:4392 10798msgid "Set all data" 10799msgstr "" 10800 10801#: ../src/Utils/GabeditXYPlot.c:5017 10802#, c-format 10803msgid "building menus of xyplot failed: %s" 10804msgstr "" 10805 10806#: ../src/Utils/GabeditXYPlot.c:6732 10807msgid "popup menu of xyplot failed" 10808msgstr "" 10809 10810#: ../src/Utils/GabeditXYPlot.c:8772 10811msgid "" 10812"Mouse buttons and Keys :\n" 10813"\t Right button : popup menu\n" 10814"\t Middle button : zoom\n" 10815"\t Left button + Control key : zoom\n" 10816"\t Left button + t key : insert a text\n" 10817"\t Left button + l key : insert a line (arrow)\n" 10818"\t Left button + Shift key : compute distance between 2 points\n" 10819"\t Left button, double click : select a data to change\n" 10820"\n" 10821"\n" 10822"Popup menu :\n" 10823"\t Set : ticks, ranges, X and Y labels, digits, font size, auto ranges\n" 10824"\t Render : grids, directions, legends\n" 10825"\t Data : read data from multiple format(txt 2 or more, JDX, jMRUI)\n" 10826"\t A backspace ligne in a txt file is interpreted as a beginning new " 10827"data\n" 10828"\t Save all data at a txt file\n" 10829"\t Remove all all\n" 10830"\t change data (scale, shift, ...)\n" 10831"\t Screen capture : BMP, JPEG, PNG, Transparent PNG, TIF\n" 10832"\t Export image : SVG, PS, EPS and PDF (this is a real export, not a " 10833"capture)\n" 10834"\t Help : for obtain this window (You guessed :))\n" 10835"\t Close : very simple :)\n" 10836msgstr "" 10837 10838#: ../src/Utils/HydrogenBond.c:184 10839msgid "Sorry, You can not delete all atoms" 10840msgstr "" 10841 10842#: ../src/Utils/HydrogenBond.c:505 10843msgid "Set the hydrogen's bonds parameters" 10844msgstr "" 10845 10846#: ../src/Utils/HydrogenBond.c:556 10847msgid "" 10848" There atoms can do an hydrogen bonds.\n" 10849" Use right button of mouse to modify this list." 10850msgstr "" 10851 10852#: ../src/Utils/PovrayUtils.c:86 10853msgid "Type of background" 10854msgstr "" 10855 10856#: ../src/Utils/PovrayUtils.c:118 10857#, c-format 10858msgid "Povray options" 10859msgstr "" 10860 10861#: ../src/Utils/Utils.c:602 10862#, c-format 10863msgid "Command = %s\n" 10864msgstr "" 10865 10866#: ../src/Utils/Utils.c:617 10867#, c-format 10868msgid "CreateProcess failed (%d)" 10869msgstr "" 10870 10871#: ../src/Utils/UtilsInterface.c:557 ../src/Utils/UtilsInterface.c:558 10872msgid "Save&Close" 10873msgstr "" 10874 10875#: ../src/Utils/UtilsInterface.c:587 ../src/Utils/UtilsInterface.c:588 10876msgid "Next" 10877msgstr "" 10878 10879#: ../src/Utils/UtilsInterface.c:771 10880msgid "" 10881"Are you sure to \n" 10882"cancel this window ?" 10883msgstr "" 10884 10885#: ../src/Utils/UtilsInterface.c:1171 10886msgid "" 10887"Sorry\n" 10888"I can not read gemetry in gaussian input file\n" 10889msgstr "" 10890 10891#: ../src/Utils/UtilsInterface.c:1190 10892msgid "" 10893"Sorry\n" 10894"I can not read gemetry in molpro input file\n" 10895msgstr "" 10896 10897#: ../src/Utils/UtilsInterface.c:1203 ../src/Utils/UtilsInterface.c:1216 10898msgid "" 10899"Sorry\n" 10900"I can not read gemetry in Q-Chem input file\n" 10901msgstr "" 10902 10903#: ../src/Utils/UtilsInterface.c:1229 10904msgid "" 10905"Sorry\n" 10906"I can not read gemetry in Mopac input file\n" 10907msgstr "" 10908 10909#: ../src/Utils/UtilsInterface.c:1246 10910#, c-format 10911msgid "" 10912"Sorry, I can not open\n" 10913" %s\n" 10914" file" 10915msgstr "" 10916 10917#: ../src/Utils/UtilsInterface.c:1463 10918#: ../src/VibrationalCorrections/GabeditGaussianInput.c:210 10919msgid "Sorry, I can not save file" 10920msgstr "" 10921 10922#: ../src/Utils/UtilsInterface.c:1784 10923msgid "Version" 10924msgstr "" 10925 10926#: ../src/Utils/UtilsInterface.c:1811 10927msgid "Sorry , this option is not active" 10928msgstr "" 10929 10930#: ../src/Utils/UtilsInterface.c:2209 10931msgid "" 10932"Sorry the name of varibale is not valid !\n" 10933"\n" 10934msgstr "" 10935 10936#: ../src/Utils/UtilsInterface.c:2210 10937#, c-format 10938msgid "%s The first character can not be one of : \n" 10939msgstr "" 10940 10941#: ../src/Utils/UtilsInterface.c:2214 10942#, c-format 10943msgid "%s Do not use the following characters :\n" 10944msgstr "" 10945 10946#: ../src/Utils/UtilsInterface.c:2816 10947msgid "Set Dipole" 10948msgstr "" 10949 10950#: ../src/Utils/UtilsInterface.c:2825 10951msgid "Set Dipole(Debye)" 10952msgstr "" 10953 10954#: ../src/Utils/UtilsInterface.c:2869 10955msgid "Color : " 10956msgstr "" 10957 10958#: ../src/VibrationalCorrections/GabeditGaussianInput.c:223 10959msgid "Save result" 10960msgstr "" 10961 10962#: ../src/VibrationalCorrections/GabeditGaussianInput.c:1369 10963msgid "Read the Gaussian output file for a input file created by Gabedit" 10964msgstr "" 10965 10966#: ../src/VibrationalCorrections/GabeditGaussianInput.c:1377 10967msgid "Temperatures (K) from : " 10968msgstr "" 10969 10970#: ../src/VibrationalCorrections/GabeditGaussianInput.c:1378 10971msgid " Number of values : " 10972msgstr "" 10973 10974#: ../src/VibrationalCorrections/GabeditGaussianInput.c:1379 10975msgid " with a step(K) : " 10976msgstr "" 10977